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Monocarboxylic acids and derivatives

Organic compounds that contain one carboxyl group; carboxyl groups consist of a carbonyl group bonded to a hydroxy group. Includes compounds that are derived from monocarboxylic acids.

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2

2-Methylbutyric acid, 98%

CAS: 116-53-0 Molecular Formula: C5H10O2 Molecular Weight (g/mol): 102.133 MDL Number: MFCD00002669 InChI Key: WLAMNBDJUVNPJU-UHFFFAOYSA-N Synonym: 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl PubChem CID: 8314 ChEBI: CHEBI:37070 IUPAC Name: 2-methylbutanoic acid SMILES: CCC(C)C(=O)O

PubChem CID 8314
CAS 116-53-0
Molecular Weight (g/mol) 102.133
ChEBI CHEBI:37070
MDL Number MFCD00002669
SMILES CCC(C)C(=O)O
Synonym 2-methylbutyric acid,dl-2-methylbutyric acid,butanoic acid, 2-methyl,ethylmethylacetic acid,methylbutyric acid,2-methyl butyric acid,2-methybutyric acid,methylethylacetic acid,active valeric acid,butyric acid, 2-methyl
IUPAC Name 2-methylbutanoic acid
InChI Key WLAMNBDJUVNPJU-UHFFFAOYSA-N
Molecular Formula C5H10O2
3

Ethyl 2-cyano-2-methylpropionate, 97%

CAS: 1572-98-1 Molecular Formula: C7H11NO2 Molecular Weight (g/mol): 141.17 MDL Number: MFCD00034667 InChI Key: FYGRPGOHQCPZCV-UHFFFAOYSA-N PubChem CID: 344887 IUPAC Name: ethyl 2-cyano-2-methylpropanoate SMILES: CCOC(=O)C(C)(C)C#N

PubChem CID 344887
CAS 1572-98-1
Molecular Weight (g/mol) 141.17
MDL Number MFCD00034667
SMILES CCOC(=O)C(C)(C)C#N
IUPAC Name ethyl 2-cyano-2-methylpropanoate
InChI Key FYGRPGOHQCPZCV-UHFFFAOYSA-N
Molecular Formula C7H11NO2
4

Ethyl 2-methylbutyrate, 99%

CAS: 7452-79-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.19 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC

PubChem CID 24020
CAS 7452-79-1
Molecular Weight (g/mol) 130.19
MDL Number MFCD00012217
SMILES CCC(C)C(=O)OCC
Synonym ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci
IUPAC Name ethyl 2-methylbutanoate
InChI Key HCRBXQFHJMCTLF-UHFFFAOYSA-N
Molecular Formula C7H14O2
5

2-Methylvaleric acid, 98+%

CAS: 97-61-0 Molecular Formula: C6H12O2 Molecular Weight (g/mol): 116.16 MDL Number: MFCD00002671 InChI Key: OVBFMEVBMNZIBR-UHFFFAOYSA-N Synonym: 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754 PubChem CID: 7341 IUPAC Name: 2-methylpentanoic acid SMILES: CCCC(C)C(=O)O

PubChem CID 7341
CAS 97-61-0
Molecular Weight (g/mol) 116.16
MDL Number MFCD00002671
SMILES CCCC(C)C(=O)O
Synonym 2-methylvaleric acid,pentanoic acid, 2-methyl,valeric acid, 2-methyl,methylpropylacetic acid,2-pentanecarboxylic acid,2-methyl valeric acid,alpha-methylvaleric acid,pentanoic acid, methyl,kyselina 2-methylvalerova,fema no. 2754
IUPAC Name 2-methylpentanoic acid
InChI Key OVBFMEVBMNZIBR-UHFFFAOYSA-N
Molecular Formula C6H12O2
6

2-Naphthylacetic acid, 99%

CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1

PubChem CID 11393
CAS 581-96-4
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:37837
MDL Number MFCD00004126
SMILES OC(=O)CC1=CC=C2C=CC=CC2=C1
Synonym 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid
IUPAC Name 2-naphthalen-2-ylacetic acid
InChI Key VIBOGIYPPWLDTI-UHFFFAOYSA-N
Molecular Formula C12H10O2
7

Ethyl 2-pyridineacetate, 98%

CAS: 2739-98-2 Molecular Formula: C9H11NO2 Molecular Weight (g/mol): 165.192 MDL Number: MFCD00006359 InChI Key: IUDKTVXSXWAKJO-UHFFFAOYSA-N Synonym: ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester PubChem CID: 75960 IUPAC Name: ethyl 2-pyridin-2-ylacetate SMILES: CCOC(=O)CC1=CC=CC=N1

PubChem CID 75960
CAS 2739-98-2
Molecular Weight (g/mol) 165.192
MDL Number MFCD00006359
SMILES CCOC(=O)CC1=CC=CC=N1
Synonym ethyl 2-pyridylacetate,ethyl 2-pyridin-2-yl acetate,ethyl 2-pyridinylacetate,ethyl pyridine-2-acetate,2-pyridineacetic acid ethyl ester,ethyl 2-pyridineacetate,ethyl 2-2-pyridyl acetate,2-pyridylacetic acid ethyl ester,ethyl pyridin-2-ylacetate,2-pyridineacetic acid, ethyl ester
IUPAC Name ethyl 2-pyridin-2-ylacetate
InChI Key IUDKTVXSXWAKJO-UHFFFAOYSA-N
Molecular Formula C9H11NO2
8

2-Propylpentanoic acid, 99%

CAS: 99-66-1 Molecular Formula: C8H16O2 Molecular Weight (g/mol): 144.21 MDL Number: MFCD00002672 InChI Key: NIJJYAXOARWZEE-UHFFFAOYSA-N Synonym: valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl PubChem CID: 3121 ChEBI: CHEBI:39867 IUPAC Name: 2-propylpentanoic acid SMILES: CCCC(CCC)C(O)=O

PubChem CID 3121
CAS 99-66-1
Molecular Weight (g/mol) 144.21
ChEBI CHEBI:39867
MDL Number MFCD00002672
SMILES CCCC(CCC)C(O)=O
Synonym valproic acid,dipropylacetic acid,depakene,depakine,2-propylvaleric acid,ergenyl,di-n-propylacetic acid,valproate,mylproin,pentanoic acid, 2-propyl
IUPAC Name 2-propylpentanoic acid
InChI Key NIJJYAXOARWZEE-UHFFFAOYSA-N
Molecular Formula C8H16O2
9

2-Phenylethyl acetate, 98%

CAS: 103-45-7 Molecular Formula: C10H12O2 Molecular Weight (g/mol): 164.20 MDL Number: MFCD00008720 InChI Key: MDHYEMXUFSJLGV-UHFFFAOYSA-N Synonym: phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate PubChem CID: 7654 ChEBI: CHEBI:31988 IUPAC Name: 2-phenylethyl acetate SMILES: CC(=O)OCCC1=CC=CC=C1

PubChem CID 7654
CAS 103-45-7
Molecular Weight (g/mol) 164.20
ChEBI CHEBI:31988
MDL Number MFCD00008720
SMILES CC(=O)OCCC1=CC=CC=C1
Synonym phenethyl acetate,2-phenethyl acetate,acetic acid, 2-phenylethyl ester,benzylcarbinyl acetate,beta-phenylethyl acetate,acetic acid, phenethyl ester,phenethyl alcohol, acetate,phenylethyl acetate,acetic acid phenethyl ester,ethanol, 2-phenyl-, acetate
IUPAC Name 2-phenylethyl acetate
InChI Key MDHYEMXUFSJLGV-UHFFFAOYSA-N
Molecular Formula C10H12O2
10

2-Ethylhexyl acetate, 99%

CAS: 103-09-3 Molecular Formula: C10H20O2 Molecular Weight (g/mol): 172.27 MDL Number: MFCD00027249 InChI Key: WOYWLLHHWAMFCB-UHFFFAOYNA-N Synonym: acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove PubChem CID: 7635 ChEBI: CHEBI:87392 IUPAC Name: 2-ethylhexyl acetate SMILES: CCCCC(CC)COC(C)=O

PubChem CID 7635
CAS 103-09-3
Molecular Weight (g/mol) 172.27
ChEBI CHEBI:87392
MDL Number MFCD00027249
SMILES CCCCC(CC)COC(C)=O
Synonym acetic acid, 2-ethylhexyl ester,2-ethyl-1-hexanol acetate,2-ethylhexyl ethanoate,2-ethyl-1-hexyl acetate,2-ethylhexanyl acetate,2-ethylhexylacetate,beta-ethylhexyl acetate,acetic acid 2-ethylhexyl ester,fema number 2806,2-ethylhexylester kyseliny octove
IUPAC Name 2-ethylhexyl acetate
InChI Key WOYWLLHHWAMFCB-UHFFFAOYNA-N
Molecular Formula C10H20O2
11

Ethyl 2-methylbutyrate, 98%

CAS: 7452-79-1 Molecular Formula: C7H14O2 Molecular Weight (g/mol): 130.187 MDL Number: MFCD00012217 InChI Key: HCRBXQFHJMCTLF-UHFFFAOYSA-N Synonym: ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci PubChem CID: 24020 IUPAC Name: ethyl 2-methylbutanoate SMILES: CCC(C)C(=O)OCC

PubChem CID 24020
CAS 7452-79-1
Molecular Weight (g/mol) 130.187
MDL Number MFCD00012217
SMILES CCC(C)C(=O)OCC
Synonym ethyl 2-methylbutyrate,butanoic acid, 2-methyl-, ethyl ester,butyric acid, 2-methyl-, ethyl ester,ethyl 2-methyl butyrate,ethyl alpha-methylbutyrate,dl-2-methylbutyric acid ethyl ester,ethyl 2-methyl-butanoate,ethyl .alpha.-methylbutyrate,2-methylbutanoic acid ethyl ester,butyric acid, 2-methyl-, ethyl ester 8ci
IUPAC Name ethyl 2-methylbutanoate
InChI Key HCRBXQFHJMCTLF-UHFFFAOYSA-N
Molecular Formula C7H14O2
12

2-Naphthylacetic acid, 99%

CAS: 581-96-4 Molecular Formula: C12H10O2 Molecular Weight (g/mol): 186.21 MDL Number: MFCD00004126 InChI Key: VIBOGIYPPWLDTI-UHFFFAOYSA-N Synonym: 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid PubChem CID: 11393 ChEBI: CHEBI:37837 IUPAC Name: 2-naphthalen-2-ylacetic acid SMILES: OC(=O)CC1=CC=C2C=CC=CC2=C1

PubChem CID 11393
CAS 581-96-4
Molecular Weight (g/mol) 186.21
ChEBI CHEBI:37837
MDL Number MFCD00004126
SMILES OC(=O)CC1=CC=C2C=CC=CC2=C1
Synonym 2-naphthylacetic acid,2-naphthaleneacetic acid,2-naphthalen-2-yl acetic acid,betoxan,2-2-naphthyl acetic acid,beta-naphthylacetic acid,beta-naphthaleneacetic acid,beta-naphthaleneacetate,naphthalen-2-ylacetic acid,.beta.-naphthaleneacetic acid
IUPAC Name 2-naphthalen-2-ylacetic acid
InChI Key VIBOGIYPPWLDTI-UHFFFAOYSA-N
Molecular Formula C12H10O2
13

Ethyl thiophene-2-carboxylate, 98+%

CAS: 2810-04-0 Molecular Formula: C7H8O2S Molecular Weight (g/mol): 156.20 MDL Number: MFCD00005436 InChI Key: JZGZKRJVTIRPOK-UHFFFAOYSA-N PubChem CID: 76052 IUPAC Name: ethyl thiophene-2-carboxylate SMILES: CCOC(=O)C1=CC=CS1

PubChem CID 76052
CAS 2810-04-0
Molecular Weight (g/mol) 156.20
MDL Number MFCD00005436
SMILES CCOC(=O)C1=CC=CS1
IUPAC Name ethyl thiophene-2-carboxylate
InChI Key JZGZKRJVTIRPOK-UHFFFAOYSA-N
Molecular Formula C7H8O2S
14

Ethyl imidazole-2-carboxylate, 97%

CAS: 33543-78-1 Molecular Formula: C6H8N2O2 Molecular Weight (g/mol): 140.142 MDL Number: MFCD03426031 InChI Key: UHYNYIGCGVDBTC-UHFFFAOYSA-N Synonym: ethyl imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid, ethyl ester,ethyl1h-imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid ethyl ester,ethyl 2-imidazolecarboxylate,imidazole-2-carboxylic acid ethyl ester,2-ethoxycarbonyl-1h-imidazole,ethylimidazole-2-carboxylate,ethoxyformyl imidazole,zlchem 847 PubChem CID: 549404 IUPAC Name: ethyl 1H-imidazole-2-carboxylate SMILES: CCOC(=O)C1=NC=CN1

PubChem CID 549404
CAS 33543-78-1
Molecular Weight (g/mol) 140.142
MDL Number MFCD03426031
SMILES CCOC(=O)C1=NC=CN1
Synonym ethyl imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid, ethyl ester,ethyl1h-imidazole-2-carboxylate,1h-imidazole-2-carboxylic acid ethyl ester,ethyl 2-imidazolecarboxylate,imidazole-2-carboxylic acid ethyl ester,2-ethoxycarbonyl-1h-imidazole,ethylimidazole-2-carboxylate,ethoxyformyl imidazole,zlchem 847
IUPAC Name ethyl 1H-imidazole-2-carboxylate
InChI Key UHYNYIGCGVDBTC-UHFFFAOYSA-N
Molecular Formula C6H8N2O2
15

Pyrrole-2-carboxylic acid, 97%

CAS: 634-97-9 Molecular Formula: C5H5NO2 Molecular Weight (g/mol): 111.1 MDL Number: MFCD00005219 InChI Key: WRHZVMBBRYBTKZ-UHFFFAOYSA-N Synonym: pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc PubChem CID: 12473 ChEBI: CHEBI:36751 IUPAC Name: 1H-pyrrole-2-carboxylic acid SMILES: C1=CNC(=C1)C(=O)O

PubChem CID 12473
CAS 634-97-9
Molecular Weight (g/mol) 111.1
ChEBI CHEBI:36751
MDL Number MFCD00005219
SMILES C1=CNC(=C1)C(=O)O
Synonym pyrrole-2-carboxylic acid,minaline,minalin,2-pyrrolecarboxylic acid,pyrrole-2-carboxylicacid,pyrrole-2-carboxylate,2-carboxypyrrole,1h-pyrrolecarboxylic acid,9ci,pyc
IUPAC Name 1H-pyrrole-2-carboxylic acid
InChI Key WRHZVMBBRYBTKZ-UHFFFAOYSA-N
Molecular Formula C5H5NO2