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Coumarins and derivatives

Aromatic organic compounds that contain a benzene ring with two adjacent hydrogen atoms replaced by a lactone-like chain, forming a second six-membered heterocycle that shares two carbons with the benzene ring with the formula: C9H6O2.
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1 – 15 of 42 results
1

4-Methylumbelliferone, 97%

CAS: 90-33-5 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00006866 InChI Key: HSHNITRMYYLLCV-UHFFFAOYSA-N Synonym: 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic PubChem CID: 5280567 ChEBI: CHEBI:17224 IUPAC Name: 7-hydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(O)=CC=C12

EDGE
PubChem CID 5280567
CAS 90-33-5
Molecular Weight (g/mol) 176.17
ChEBI CHEBI:17224
MDL Number MFCD00006866
SMILES CC1=CC(=O)OC2=CC(O)=CC=C12
Synonym 4-methylumbelliferone,hymecromone,7-hydroxy-4-methylcoumarin,imecromone,7-hydroxy-4-methyl-2h-chromen-2-one,cholestil,mendiaxon,4-methyl-7-hydroxycoumarin,beta-methylumbelliferone,bilcolic
IUPAC Name 7-hydroxy-4-methylchromen-2-one
InChI Key HSHNITRMYYLLCV-UHFFFAOYSA-N
Molecular Formula C10H8O3
2

7-Amino-4-methylcoumarin, 98%

CAS: 26093-31-2 Molecular Formula: C10H9NO2 Molecular Weight (g/mol): 175.19 MDL Number: MFCD00006868 InChI Key: GLNDAGDHSLMOKX-UHFFFAOYSA-N Synonym: 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x PubChem CID: 92249 ChEBI: CHEBI:51771 IUPAC Name: 7-amino-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(N)=CC=C12

PubChem CID 92249
CAS 26093-31-2
Molecular Weight (g/mol) 175.19
ChEBI CHEBI:51771
MDL Number MFCD00006868
SMILES CC1=CC(=O)OC2=CC(N)=CC=C12
Synonym 7-amino-4-methylcoumarin,coumarin 120,7-amino-4-methyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-methyl,coumarin, 7-amino-4-methyl,4-methyl-7-aminocoumarin,7-amino-4-methyl-chromen-2-one,unii-ocy3jct44x,ccris 4961,ocy3jct44x
IUPAC Name 7-amino-4-methylchromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
3

4-Methylumbelliferyl phosphate, 99%

CAS: 3368-04-5 MDL Number: MFCD00016969

CAS 3368-04-5
MDL Number MFCD00016969
4

5,7-Dimethoxycoumarin, 98%

CAS: 487-06-9 Molecular Formula: C11H10O4 Molecular Weight (g/mol): 206.197 MDL Number: MFCD00006870 InChI Key: NXJCRELRQHZBQA-UHFFFAOYSA-N Synonym: 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy PubChem CID: 2775 IUPAC Name: 5,7-dimethoxychromen-2-one SMILES: COC1=CC(=C2C=CC(=O)OC2=C1)OC

PubChem CID 2775
CAS 487-06-9
Molecular Weight (g/mol) 206.197
MDL Number MFCD00006870
SMILES COC1=CC(=C2C=CC(=O)OC2=C1)OC
Synonym 5,7-dimethoxycoumarin,citropten,limettin,citroptene,citraptene,limetin,5,7-dimethoxy-2h-chromen-2-one,5,7-dimethoxy-2-benzopyrone,2h-1-benzopyran-2-one, 5,7-dimethoxy,coumarin, 5,7-dimethoxy
IUPAC Name 5,7-dimethoxychromen-2-one
InChI Key NXJCRELRQHZBQA-UHFFFAOYSA-N
Molecular Formula C11H10O4
5

Coumarin-3-carboxylic acid, 98%

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.154 MDL Number: MFCD00006852 InChI Key: ACMLKANOGIVEPB-UHFFFAOYSA-N Synonym: coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van PubChem CID: 10752 IUPAC Name: 2-oxochromene-3-carboxylic acid SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O

PubChem CID 10752
CAS 531-81-7
Molecular Weight (g/mol) 190.154
MDL Number MFCD00006852
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)C(=O)O
Synonym coumarin-3-carboxylic acid,2-oxo-2h-chromene-3-carboxylic acid,3-carboxycoumarin,2-oxobenzopyran-3-carboxylic acid,g 1 rodenticide,2h-1-benzopyran-3-carboxylic acid, 2-oxo,2-oxo-2h-1-benzopyran-3-carboxylic acid,unii-v85uov8788,g 1 the rodenticide van,g 1 van
IUPAC Name 2-oxochromene-3-carboxylic acid
InChI Key ACMLKANOGIVEPB-UHFFFAOYSA-N
Molecular Formula C10H6O4
6

Coumarin, 98%

CAS: 91-64-5 Molecular Formula: C9H6O2 Molecular Weight (g/mol): 146.15 MDL Number: MFCD00006850 InChI Key: ZYGHJZDHTFUPRJ-UHFFFAOYSA-N Synonym: coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone PubChem CID: 323 ChEBI: CHEBI:28794 SMILES: O=C1OC2=CC=CC=C2C=C1

PubChem CID 323
CAS 91-64-5
Molecular Weight (g/mol) 146.15
ChEBI CHEBI:28794
MDL Number MFCD00006850
SMILES O=C1OC2=CC=CC=C2C=C1
Synonym coumarin,2h-chromen-2-one,2h-1-benzopyran-2-one,cumarin,1,2-benzopyrone,rattex,tonka bean camphor,coumarinic anhydride,coumarine,benzo-alpha-pyrone
InChI Key ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Molecular Formula C9H6O2
7

4-Hydroxycoumarin, 98+%

CAS: 1076-38-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006856 InChI Key: OWBBAPRUYLEWRR-UHFFFAOYSA-N Synonym: 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd PubChem CID: 54682930 ChEBI: CHEBI:40070 IUPAC Name: 4-hydroxychromen-2-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

PubChem CID 54682930
CAS 1076-38-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:40070
MDL Number MFCD00006856
SMILES OC1=CC(=O)C2=CC=CC=C2O1
Synonym 4-hydroxycoumarin,4-coumarinol,4-hydroxy-2h-chromen-2-one,benzotetronic acid,coumarin, 4-hydroxy,2h-1-benzopyran-2-one, 4-hydroxy,4-hydroxy-2h-1-benzopyran-2-one,4-hydroxy-1-benzopyran-2-one,4-hydroxy-chromen-2-one,unii-x954zll2rd
IUPAC Name 4-hydroxychromen-2-one
InChI Key OWBBAPRUYLEWRR-UHFFFAOYSA-N
Molecular Formula C9H6O3
8

6,7-Dihydroxycoumarin, 98+%

CAS: 305-01-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00006874 InChI Key: ILEDWLMCKZNDJK-UHFFFAOYSA-N Synonym: esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon PubChem CID: 5281416 ChEBI: CHEBI:490095 IUPAC Name: 6,7-dihydroxychromen-2-one SMILES: C1=CC(=O)OC2=CC(=C(C=C21)O)O

PubChem CID 5281416
CAS 305-01-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:490095
MDL Number MFCD00006874
SMILES C1=CC(=O)OC2=CC(=C(C=C21)O)O
Synonym esculetin,6,7-dihydroxycoumarin,aesculetin,cichorigenin,6,7-dihydroxy-2h-chromen-2-one,cichoriin aglucon,esculatin,esculetol,esculin aglucon,esculin aglycon
IUPAC Name 6,7-dihydroxychromen-2-one
InChI Key ILEDWLMCKZNDJK-UHFFFAOYSA-N
Molecular Formula C9H6O4
9

4-Methoxycoumarin, 98%

CAS: 20280-81-3 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.171 MDL Number: MFCD00017349 InChI Key: MLCMXDYMSAZNPC-UHFFFAOYSA-N PubChem CID: 529426 IUPAC Name: 4-methoxychromen-2-one SMILES: COC1=CC(=O)OC2=CC=CC=C21

PubChem CID 529426
CAS 20280-81-3
Molecular Weight (g/mol) 176.171
MDL Number MFCD00017349
SMILES COC1=CC(=O)OC2=CC=CC=C21
IUPAC Name 4-methoxychromen-2-one
InChI Key MLCMXDYMSAZNPC-UHFFFAOYSA-N
Molecular Formula C10H8O3
10

7-Amino-4-(trifluoromethyl)coumarin, 97%

CAS: 53518-15-3 Molecular Formula: C10H6F3NO2 Molecular Weight (g/mol): 229.158 MDL Number: MFCD00006858 InChI Key: JBNOVHJXQSHGRL-UHFFFAOYSA-N Synonym: coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017 PubChem CID: 100641 ChEBI: CHEBI:51772 IUPAC Name: 7-amino-4-(trifluoromethyl)chromen-2-one SMILES: C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F

PubChem CID 100641
CAS 53518-15-3
Molecular Weight (g/mol) 229.158
ChEBI CHEBI:51772
MDL Number MFCD00006858
SMILES C1=CC2=C(C=C1N)OC(=O)C=C2C(F)(F)F
Synonym coumarin 151,7-amino-4-trifluoromethyl coumarin,7-amino-4-trifluoromethylcoumarin,7-amino-4-trifluoromethyl-2h-chromen-2-one,2h-1-benzopyran-2-one, 7-amino-4-trifluoromethyl,7-amino-4-trifluoromethyl chromen-2-one,7-amino-4-trifluoromethyl-2-benzopyrone,7-amino-4-trifluoromethyl-chromen-2-one,pubchem8665,maybridge1_007017
IUPAC Name 7-amino-4-(trifluoromethyl)chromen-2-one
InChI Key JBNOVHJXQSHGRL-UHFFFAOYSA-N
Molecular Formula C10H6F3NO2
11

3-Aminocoumarin, 97%

CAS: 1635-31-0 Molecular Formula: C9H7NO2 Molecular Weight (g/mol): 161.16 MDL Number: MFCD00016965 InChI Key: QWZHDKGQKYEBKK-UHFFFAOYSA-N Synonym: 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous PubChem CID: 74217 IUPAC Name: 3-aminochromen-2-one SMILES: C1=CC=C2C(=C1)C=C(C(=O)O2)N

PubChem CID 74217
CAS 1635-31-0
Molecular Weight (g/mol) 161.16
MDL Number MFCD00016965
SMILES C1=CC=C2C(=C1)C=C(C(=O)O2)N
Synonym 3-aminocoumarin,3-amino-2h-chromen-2-one,3-amino-2-benzopyrone,3-amino-2h-1-benzopyran-2-one,coumarin amine,coumarin monoamine,amino-chromen-2-one,3-azanylchromen-2-one,acmc-1bous
IUPAC Name 3-aminochromen-2-one
InChI Key QWZHDKGQKYEBKK-UHFFFAOYSA-N
Molecular Formula C9H7NO2
12

7-Hydroxycoumarin, 98%

CAS: 93-35-6 Molecular Formula: C9H6O3 Molecular Weight (g/mol): 162.14 MDL Number: MFCD00006878 InChI Key: ORHBXUUXSCNDEV-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon PubChem CID: 5281426 ChEBI: CHEBI:27510 IUPAC Name: 7-hydroxychromen-2-one SMILES: OC1=CC=C2C=CC(=O)OC2=C1

PubChem CID 5281426
CAS 93-35-6
Molecular Weight (g/mol) 162.14
ChEBI CHEBI:27510
MDL Number MFCD00006878
SMILES OC1=CC=C2C=CC(=O)OC2=C1
Synonym 7-hydroxycoumarin,umbelliferone,7-hydroxy-2h-chromen-2-one,hydrangin,skimmetin,7-hydroxycoumarine,7-oxycoumarin,hydrangine,skimmetine,umbelliferon
IUPAC Name 7-hydroxychromen-2-one
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3
13

7,8-Dihydroxy-4-methylcoumarin, 97%

CAS: 2107-77-9 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016972 InChI Key: NWQBYMPNIJXFNQ-UHFFFAOYSA-N Synonym: 7,8-dihydroxy-4-methylcoumarin,4-methyldaphnetin,7,8-dihydroxy-4-methyl-2h-chromen-2-one,4-methyldaphnetine,4-methyl-7,8-dihydroxycoumarin,2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl,coumarin, 7,8-dihydroxy-4-methyl,7,8-dihydroxy-4-methyl-2h-1-benzopyran-2-one,7,8-dihydroxy-4-methyl-chromen-2-one,7,8-dihydroxy-4-methyl-2-benzopyrone PubChem CID: 5355836 SMILES: CC1=CC(=O)OC2=C(O)C(O)=CC=C12

PubChem CID 5355836
CAS 2107-77-9
Molecular Weight (g/mol) 192.17
MDL Number MFCD00016972
SMILES CC1=CC(=O)OC2=C(O)C(O)=CC=C12
Synonym 7,8-dihydroxy-4-methylcoumarin,4-methyldaphnetin,7,8-dihydroxy-4-methyl-2h-chromen-2-one,4-methyldaphnetine,4-methyl-7,8-dihydroxycoumarin,2h-1-benzopyran-2-one, 7,8-dihydroxy-4-methyl,coumarin, 7,8-dihydroxy-4-methyl,7,8-dihydroxy-4-methyl-2h-1-benzopyran-2-one,7,8-dihydroxy-4-methyl-chromen-2-one,7,8-dihydroxy-4-methyl-2-benzopyrone
InChI Key NWQBYMPNIJXFNQ-UHFFFAOYSA-N
Molecular Formula C10H8O4
14

3-Acetylcoumarin, 98+%

CAS: 3949-36-8 Molecular Formula: C11H8O3 Molecular Weight (g/mol): 188.182 MDL Number: MFCD00006853 InChI Key: CSPIFKKOBWYOEX-UHFFFAOYSA-N Synonym: 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891 PubChem CID: 77553 IUPAC Name: 3-acetylchromen-2-one SMILES: CC(=O)C1=CC2=CC=CC=C2OC1=O

PubChem CID 77553
CAS 3949-36-8
Molecular Weight (g/mol) 188.182
MDL Number MFCD00006853
SMILES CC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym 3-acetylcoumarin,3-acetyl-2h-chromen-2-one,coumarin, 3-acetyl,2h-1-benzopyran-2-one, 3-acetyl,3-acetyl-2-oxochromene,3-acetylcoumarine,pubchem8664,maybridge1_000885,prestwick0_000891,prestwick1_000891
IUPAC Name 3-acetylchromen-2-one
InChI Key CSPIFKKOBWYOEX-UHFFFAOYSA-N
Molecular Formula C11H8O3
15

Ethyl coumarin-3-carboxylate, 98%

CAS: 1846-76-0 Molecular Formula: C12H10O4 Molecular Weight (g/mol): 218.208 MDL Number: MFCD00016964 InChI Key: XKHPEMKBJGUYCM-UHFFFAOYSA-N Synonym: ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester PubChem CID: 15800 IUPAC Name: ethyl 2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=CC=CC=C2OC1=O

PubChem CID 15800
CAS 1846-76-0
Molecular Weight (g/mol) 218.208
MDL Number MFCD00016964
SMILES CCOC(=O)C1=CC2=CC=CC=C2OC1=O
Synonym ethyl coumarin-3-carboxylate,ethyl 2-oxo-2h-chromene-3-carboxylate,3-ethoxycarbonylcoumarin,ethyl 3-coumarincarboxylate,3-carbethoxycoumarin,ethylcoumarin-3-carboxylate,coumarin-3-carboxylic acid ethyl ester,1,2-benzopyran-2-one-3-carboxylic acid, ethyl ester,2h-1-benzopyran-3-carboxylic acid, 2-oxo-, ethyl ester,2h-1-benzopyran-3-carboxylicacid, 2-oxo-, ethyl ester
IUPAC Name ethyl 2-oxochromene-3-carboxylate
InChI Key XKHPEMKBJGUYCM-UHFFFAOYSA-N
Molecular Formula C12H10O4