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Dicarbonyl Compounds

Organic compounds that contain two carbonyl functional groups; a carbonyl functional group consists of a carbon atom with a double bond to an oxygen atom (C=O).

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1

Ethyl 2-oxocyclopentanecarboxylate, 97+%

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.181 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N Synonym: ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

PubChem CID 69136
CAS 611-10-9
Molecular Weight (g/mol) 156.181
MDL Number MFCD00001412
SMILES CCOC(=O)C1CCCC1=O
Synonym ethyl 2-oxocyclopentanecarboxylate,2-carbethoxycyclopentanone,ethyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, ethyl ester,cyclopentanone-2-carboxylic acid ethyl ester,ethyl2-oxocyclopentanecarboxylate,2-ethoxycarbonyl cyclopentanone,ethyl 2-cyclopentanonecarboxylate,.alpha.-carboethoxy cyclopentanone,ethyl 2-cyclopentanone-1-carboxylate
IUPAC Name ethyl 2-oxocyclopentane-1-carboxylate
InChI Key JHZPNBKZPAWCJD-UHFFFAOYSA-N
Molecular Formula C8H12O3
2

Diethyl 2-(2-cyanoethyl)malonate, 98+%

CAS: 17216-62-5 Molecular Formula: C10H15NO4 Molecular Weight (g/mol): 213.233 MDL Number: MFCD00001966 InChI Key: YJJLOESDBPRZIP-UHFFFAOYSA-N PubChem CID: 87005 IUPAC Name: diethyl 2-(2-cyanoethyl)propanedioate SMILES: CCOC(=O)C(CCC#N)C(=O)OCC

PubChem CID 87005
CAS 17216-62-5
Molecular Weight (g/mol) 213.233
MDL Number MFCD00001966
SMILES CCOC(=O)C(CCC#N)C(=O)OCC
IUPAC Name diethyl 2-(2-cyanoethyl)propanedioate
InChI Key YJJLOESDBPRZIP-UHFFFAOYSA-N
Molecular Formula C10H15NO4
3

2-Bromomalonaldehyde, 97+%

CAS: 2065-75-0 Molecular Formula: C3H3BrO2 Molecular Weight (g/mol): 150.95 InChI Key: SURMYNZXHKLDFO-UHFFFAOYSA-N Synonym: 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde PubChem CID: 74945 IUPAC Name: 2-bromopropanedial SMILES: C(=O)C(C=O)Br

PubChem CID 74945
CAS 2065-75-0
Molecular Weight (g/mol) 150.95
SMILES C(=O)C(C=O)Br
Synonym 2-bromomalonaldehyde,bromomalonaldehyde,bromomalondialdehyde,propanedial, bromo,2-bromomalondialdehyde,2-bromo-1,3-propanedial,malonaldehyde, bromo,bromo-malonaldehyde,zlchem 220,2-bromo-malonaldehyde
IUPAC Name 2-bromopropanedial
InChI Key SURMYNZXHKLDFO-UHFFFAOYSA-N
Molecular Formula C3H3BrO2
4

Ethyl 2-cyanoacetoacetate

CAS: 634-55-9 Molecular Formula: C7H9NO3 Molecular Weight (g/mol): 155.15 MDL Number: MFCD00043487 InChI Key: NWOKVFOTWMZMHL-UHFFFAOYNA-N Synonym: ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939 PubChem CID: 136455 ChEBI: CHEBI:51924 IUPAC Name: ethyl 2-cyano-3-oxobutanoate SMILES: CCOC(=O)C(C#N)C(C)=O

PubChem CID 136455
CAS 634-55-9
Molecular Weight (g/mol) 155.15
ChEBI CHEBI:51924
MDL Number MFCD00043487
SMILES CCOC(=O)C(C#N)C(C)=O
Synonym ethyl 2-cyanoacetoacetate,ethyl 2-acetylcyanoacetate,ethyl a-cyanoacetoacetate,ethyl alpha-cyanoacetoacetate,butanoic acid, 2-cyano-3-oxo-, ethyl ester,ethyl2-acetylcyanoacetate,ethyl 2-cyano-3-oxo-butanoate,2-cyanoacetoacetic acid ethyl ester,2-cyano-3-oxo-butyric acid ethyl ester,zlchem 939
IUPAC Name ethyl 2-cyano-3-oxobutanoate
InChI Key NWOKVFOTWMZMHL-UHFFFAOYNA-N
Molecular Formula C7H9NO3
5

Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

PubChem CID 701
CAS 609-14-3
Molecular Weight (g/mol) 144.17
MDL Number MFCD00009164
SMILES CCOC(=O)C(C)C(=O)C
Synonym ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
IUPAC Name ethyl 2-methyl-3-oxobutanoate
InChI Key FNENWZWNOPCZGK-UHFFFAOYSA-N
Molecular Formula C7H12O3
6

Methyl 2-cyclopentanonecarboxylate, 96%

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.15 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

PubChem CID 66328
CAS 10472-24-9
Molecular Weight (g/mol) 142.15
MDL Number MFCD00001411
SMILES COC(=O)C1CCCC1=O
Synonym methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane
IUPAC Name methyl 2-oxocyclopentane-1-carboxylate
InChI Key PZBBESSUKAHBHD-UHFFFAOYSA-N
Molecular Formula C7H10O3
7

Ethyl 2-oxocyclohexanecarboxylate, 95%

CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O

PubChem CID 95543
CAS 1655-07-8
Molecular Weight (g/mol) 170.21
MDL Number MFCD00001631
SMILES CCOC(=O)C1CCCCC1=O
Synonym ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate
IUPAC Name ethyl 2-oxocyclohexane-1-carboxylate
InChI Key FGSGHBPKHFDJOP-UHFFFAOYNA-N
Molecular Formula C9H14O3
8

Ethyl 2-methylacetoacetate, 95%

CAS: 609-14-3 Molecular Formula: C7H12O3 Molecular Weight (g/mol): 144.17 MDL Number: MFCD00009164 InChI Key: FNENWZWNOPCZGK-UHFFFAOYSA-N Synonym: ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester PubChem CID: 701 IUPAC Name: ethyl 2-methyl-3-oxobutanoate SMILES: CCOC(=O)C(C)C(=O)C

PubChem CID 701
CAS 609-14-3
Molecular Weight (g/mol) 144.17
MDL Number MFCD00009164
SMILES CCOC(=O)C(C)C(=O)C
Synonym ethyl 2-methylacetoacetate,ethyl 2-acetylpropionate,ethyl-2-methyl acetoacetate,ethyl methylacetoacetate,ethyl 2-methyl-3-oxobutyrate,ethyl2-methylacetoacetate,butanoic acid, 2-methyl-3-oxo-, ethyl ester,2-methylacetoacetic acid ethyl ester,ethyl alpha-methylacetylacetate,2-methyl-3-oxobutanoic acid ethyl ester
IUPAC Name ethyl 2-methyl-3-oxobutanoate
InChI Key FNENWZWNOPCZGK-UHFFFAOYSA-N
Molecular Formula C7H12O3
9

Ethyl 2-ethylacetoacetate, 95%

CAS: 607-97-6 Molecular Formula: C8H14O3 Molecular Weight (g/mol): 158.197 MDL Number: MFCD00039898 InChI Key: OKANYBNORCUPKZ-UHFFFAOYSA-N Synonym: ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate PubChem CID: 79065 IUPAC Name: ethyl 2-ethyl-3-oxobutanoate SMILES: CCC(C(=O)C)C(=O)OCC

PubChem CID 79065
CAS 607-97-6
Molecular Weight (g/mol) 158.197
MDL Number MFCD00039898
SMILES CCC(C(=O)C)C(=O)OCC
Synonym ethyl 2-ethylacetoacetate,ethyl 2-acetylbutyrate,butanoic acid, 2-ethyl-3-oxo-, ethyl ester,2-ethylacetoacetic acid ethyl ester,ethyl 2-ethyl-3-ketobutyrate,ethyl alpha-ethylacetoacetate,ethyl-2-ethylacetoacetate,2-ethyl-3-oxo-butyric acid ethyl ester,ethyl .alpha.-acetylbutyrate,ethyl 2-ethyl-3-oxo-butanoate
IUPAC Name ethyl 2-ethyl-3-oxobutanoate
InChI Key OKANYBNORCUPKZ-UHFFFAOYSA-N
Molecular Formula C8H14O3
10

Methyl 2-oxocyclohexanecarboxylate, 90%

CAS: 41302-34-5 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.2 MDL Number: MFCD00077699 InChI Key: JEENWEAPRWGXSG-UHFFFAOYSA-N Synonym: methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u PubChem CID: 170489 IUPAC Name: methyl 2-oxocyclohexane-1-carboxylate SMILES: COC(=O)C1CCCCC1=O

PubChem CID 170489
CAS 41302-34-5
Molecular Weight (g/mol) 156.2
MDL Number MFCD00077699
SMILES COC(=O)C1CCCCC1=O
Synonym methyl 2-oxocyclohexanecarboxylate,2-methoxycarbonylcyclohexanone,2-carbomethoxycyclohexanone,cyclohexanecarboxylic acid, 2-oxo-, methyl ester,methyl cyclohexanone-2-carboxylate,2-oxo-cyclohexanecarboxylic acid methyl ester,2-hydroxy methyl cyclohexanone,2-oxocyclohexanecarboxylic acid, methyl ester,pubchem20380,acmc-1ao3u
IUPAC Name methyl 2-oxocyclohexane-1-carboxylate
InChI Key JEENWEAPRWGXSG-UHFFFAOYSA-N
Molecular Formula C8H12O3
11

Ethyl 2-oxocyclopentanecarboxylate, 95+%

CAS: 611-10-9 Molecular Formula: C8H12O3 Molecular Weight (g/mol): 156.18 MDL Number: MFCD00001412 InChI Key: JHZPNBKZPAWCJD-UHFFFAOYSA-N PubChem CID: 69136 IUPAC Name: ethyl 2-oxocyclopentane-1-carboxylate SMILES: CCOC(=O)C1CCCC1=O

PubChem CID 69136
CAS 611-10-9
Molecular Weight (g/mol) 156.18
MDL Number MFCD00001412
SMILES CCOC(=O)C1CCCC1=O
IUPAC Name ethyl 2-oxocyclopentane-1-carboxylate
InChI Key JHZPNBKZPAWCJD-UHFFFAOYSA-N
Molecular Formula C8H12O3
12

Ethyl 2-oxocyclohexanecarboxylate, 95%

CAS: 1655-07-8 Molecular Formula: C9H14O3 Molecular Weight (g/mol): 170.21 MDL Number: MFCD00001631 InChI Key: FGSGHBPKHFDJOP-UHFFFAOYNA-N Synonym: ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate PubChem CID: 95543 IUPAC Name: ethyl 2-oxocyclohexane-1-carboxylate SMILES: CCOC(=O)C1CCCCC1=O

PubChem CID 95543
CAS 1655-07-8
Molecular Weight (g/mol) 170.21
MDL Number MFCD00001631
SMILES CCOC(=O)C1CCCCC1=O
Synonym ethyl 2-oxocyclohexanecarboxylate,ethyl 2-cyclohexanonecarboxylate,2-carbethoxycyclohexanone,ethyl cyclohexanone-2-carboxylate,cyclohexanecarboxylic acid, 2-oxo-, ethyl ester,2-ethoxycarbonyl cyclohexanone,2-cyclohexanonecarboxylic acid ethyl ester,2-oxocyclohexanecarboxylic acid ethyl ester,ethyl 2-oxo-1-cyclohexanecarboxylate,ethyl 2-oxocylohexanecarboxylate
IUPAC Name ethyl 2-oxocyclohexane-1-carboxylate
InChI Key FGSGHBPKHFDJOP-UHFFFAOYNA-N
Molecular Formula C9H14O3
13

Methyl 2-oxocyclopentanecarboxylate, 97%

CAS: 10472-24-9 Molecular Formula: C7H10O3 Molecular Weight (g/mol): 142.154 MDL Number: MFCD00001411 InChI Key: PZBBESSUKAHBHD-UHFFFAOYSA-N Synonym: methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane PubChem CID: 66328 IUPAC Name: methyl 2-oxocyclopentane-1-carboxylate SMILES: COC(=O)C1CCCC1=O

PubChem CID 66328
CAS 10472-24-9
Molecular Weight (g/mol) 142.154
MDL Number MFCD00001411
SMILES COC(=O)C1CCCC1=O
Synonym methyl 2-oxocyclopentanecarboxylate,methyl 2-cyclopentanonecarboxylate,2-carbmethoxycyclopentanone,methyl cyclopentanone-2-carboxylate,cyclopentanecarboxylic acid, 2-oxo-, methyl ester,2-methoxy carbonyl cyclopentanone,2-methoxycarbonylcyclopentanone,2-oxocyclopentanecarboxylic acid methyl ester,cyclopentanone-2-carboxylic acid methyl ester,mehyl-2-oxocyclopentane
IUPAC Name methyl 2-oxocyclopentane-1-carboxylate
InChI Key PZBBESSUKAHBHD-UHFFFAOYSA-N
Molecular Formula C7H10O3
14

Methyl 2-oxoindane-1-carboxylate, 97%

CAS: 104620-34-0 Molecular Formula: C11H10O3 Molecular Weight (g/mol): 190.198 MDL Number: MFCD06200715 InChI Key: RWSYHHRDYRDVQL-UHFFFAOYSA-N Synonym: methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester PubChem CID: 10888732 IUPAC Name: methyl 2-oxo-1,3-dihydroindene-1-carboxylate SMILES: COC(=O)C1C(=O)CC2=CC=CC=C12

PubChem CID 10888732
CAS 104620-34-0
Molecular Weight (g/mol) 190.198
MDL Number MFCD06200715
SMILES COC(=O)C1C(=O)CC2=CC=CC=C12
Synonym methyl 2-oxo-1-indanecarboxylate,methyl 2-oxoindane-1-carboxylate,methyl2-oxo-1-indanecarboxylate,methyl 2-oxo-2,3-dihydro-1h-indene-1-carboxylate,1h-indene-1-carboxylic acid, 2,3-dihydro-2-oxo-, methyl ester,acmc-20agv9,1-methoxycarbonyl-2-indanone,2-oxo-indan-1-carboxylic acid methyl ester,2-oxo-1,3-dihydro-indene-1-carboxylic acid methyl ester
IUPAC Name methyl 2-oxo-1,3-dihydroindene-1-carboxylate
InChI Key RWSYHHRDYRDVQL-UHFFFAOYSA-N
Molecular Formula C11H10O3