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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

6,7-Dihydroxy-4-methylcoumarin, 97%

CAS: 529-84-0 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00006859 InChI Key: KVOJTUXGYQVLAJ-UHFFFAOYSA-N Synonym: 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one PubChem CID: 5319502 IUPAC Name: 6,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)O)O

PubChem CID 5319502
CAS 529-84-0
Molecular Weight (g/mol) 192.17
MDL Number MFCD00006859
SMILES CC1=CC(=O)OC2=CC(=C(C=C12)O)O
Synonym 4-methylesculetin,6,7-dihydroxy-4-methylcoumarin,methylesculetin,6,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methylaesculetin,4-methylesculetol,4-methyl-6,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 6,7-dihydroxy-4-methyl,coumarin, 6,7-dihydroxy-4-methyl,6,7-dihydroxy-4-methyl-2h-benzopyran-2-one
IUPAC Name 6,7-dihydroxy-4-methylchromen-2-one
InChI Key KVOJTUXGYQVLAJ-UHFFFAOYSA-N
Molecular Formula C10H8O4
2

6-Nitrocoumarin, 98+%

CAS: 2725-81-7 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD00016973 InChI Key: RMERXEXZXIVNBF-UHFFFAOYSA-N PubChem CID: 75944 IUPAC Name: 6-nitrochromen-2-one SMILES: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]

PubChem CID 75944
CAS 2725-81-7
Molecular Weight (g/mol) 191.142
MDL Number MFCD00016973
SMILES C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]
IUPAC Name 6-nitrochromen-2-one
InChI Key RMERXEXZXIVNBF-UHFFFAOYSA-N
Molecular Formula C9H5NO4
3

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
4

4-Bromomethyl-6,7-dimethoxycoumarin, 95%

CAS: 88404-25-5 Molecular Formula: C12H11BrO4 Molecular Weight (g/mol): 299.12 MDL Number: MFCD00011570 InChI Key: JGODLBJJCNQFII-UHFFFAOYSA-N Synonym: 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran PubChem CID: 128870 IUPAC Name: 4-(bromomethyl)-6,7-dimethoxychromen-2-one SMILES: COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC

PubChem CID 128870
CAS 88404-25-5
Molecular Weight (g/mol) 299.12
MDL Number MFCD00011570
SMILES COC1=C(C=C2C(=C1)C(=CC(=O)O2)CBr)OC
Synonym 4-bromomethyl-6,7-dimethoxycoumarin,4-bromomethyl-6,7-dimethoxy-2h-chromen-2-one,4-bromomethyl-6,7-dimethoxychromen-2-one,2h-1-benzopyran-2-one, 4-bromomethyl-6,7-dimethoxy,4-bromomethyl-6,7-dimethoxy coumarin,4-bdmc,brdmc-4,6,7,4-bromomethyl-6,7-dimethoxy-2-oxo-2h-benzopyran
IUPAC Name 4-(bromomethyl)-6,7-dimethoxychromen-2-one
InChI Key JGODLBJJCNQFII-UHFFFAOYSA-N
Molecular Formula C12H11BrO4
5

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
6

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
9

4-Hydroxy-6-methylcoumarin, 98+%

CAS: 13252-83-0 Molecular Formula: C10H8O3 Molecular Weight (g/mol): 176.17 MDL Number: MFCD00085738 InChI Key: CSVFZDYJGBVNEX-UHFFFAOYSA-N Synonym: 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4 PubChem CID: 54686349 IUPAC Name: 4-hydroxy-6-methylchromen-2-one SMILES: CC1=CC=C2OC(O)=CC(=O)C2=C1

PubChem CID 54686349
CAS 13252-83-0
Molecular Weight (g/mol) 176.17
MDL Number MFCD00085738
SMILES CC1=CC=C2OC(O)=CC(=O)C2=C1
Synonym 4-hydroxy-6-methylcoumarin,4-hydroxy-6-methyl-2h-chromen-2-one,6-methyl-4-hydroxycoumarin,2h-1-benzopyran-2-one,4-hydroxy-6-methyl,2h-1-benzopyran-2-one, 4-hydroxy-6-methyl,2-hydroxy-6-methylchromen-4-one,2-hydroxy-6-methyl-4h-chromen-4-one,6-methyl-4-hydroxy coumarin,hydroxy-6-methylcoumarin,4
IUPAC Name 4-hydroxy-6-methylchromen-2-one
InChI Key CSVFZDYJGBVNEX-UHFFFAOYSA-N
Molecular Formula C10H8O3