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Coumarins and derivatives

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 71 results
1

Thermo Scientific Chemicals 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
2

7-Amino-4-methylcoumarin, 98%, Thermo Scientific Chemicals

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

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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
4

7-Diethylamino-4-methylcoumarin, 99%, Thermo Scientific Chemicals

CAS: 91-44-1 Molecular Formula: C14H17NO2 Molecular Weight (g/mol): 231.295 MDL Number: MFCD00006864 InChI Key: AFYCEAFSNDLKSX-UHFFFAOYSA-N Synonym: 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p PubChem CID: 7050 ChEBI: CHEBI:51938 IUPAC Name: 7-(diethylamino)-4-methylchromen-2-one SMILES: CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C

PubChem CID 7050
CAS 91-44-1
Molecular Weight (g/mol) 231.295
ChEBI CHEBI:51938
MDL Number MFCD00006864
SMILES CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)C
Synonym 7-diethylamino-4-methylcoumarin,coumarin 1,7-diethylamino-4-methyl-2h-chromen-2-one,coumarin 47,coumarin 460,4-methyl-7-diethylamino coumarin,blancophor aw,blancophor ffg,4-methyl-7-diethylaminocoumarin,hakkol p
IUPAC Name 7-(diethylamino)-4-methylchromen-2-one
InChI Key AFYCEAFSNDLKSX-UHFFFAOYSA-N
Molecular Formula C14H17NO2
5

5,7-Dimethoxycoumarin, 98%, Thermo Scientific Chemicals

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
6

Coumarin-3-carboxylic acid, 98%, Thermo Scientific Chemicals

CAS: 531-81-7 Molecular Formula: C10H6O4 Molecular Weight (g/mol): 190.15 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

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PubChem CID 10752
CAS 531-81-7
Molecular Weight (g/mol) 190.15
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
7

7,8-Dihydroxy-4-methylcoumarin, 97%, Thermo Scientific Chemicals

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
8

6-Bromocoumarin-3-carboxylic acid, 97%, Thermo Scientific Chemicals

CAS: 2199-87-3 Molecular Formula: C10H5BrO4 Molecular Weight (g/mol): 269.05 MDL Number: MFCD00047640 InChI Key: XFQHPAXNKDYMOX-UHFFFAOYSA-N Synonym: 6-bromo-2-oxo-2h-chromene-3-carboxylic acid,6-bromocoumarin-3-carboxylic acid,acmc-20alzr,maybridge1_000837,6-bromo-3-carboxy-coumarin,6-bromo-coumarin-3-carboxylic acid,2-oxo-6-bromo-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylicacid,6-bromo-2-oxo,2h-1-benzopyran-3-carboxylicacid, 6-bromo-2-oxo PubChem CID: 694463 IUPAC Name: 6-bromo-2-oxochromene-3-carboxylic acid SMILES: C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O

PubChem CID 694463
CAS 2199-87-3
Molecular Weight (g/mol) 269.05
MDL Number MFCD00047640
SMILES C1=CC2=C(C=C1Br)C=C(C(=O)O2)C(=O)O
Synonym 6-bromo-2-oxo-2h-chromene-3-carboxylic acid,6-bromocoumarin-3-carboxylic acid,acmc-20alzr,maybridge1_000837,6-bromo-3-carboxy-coumarin,6-bromo-coumarin-3-carboxylic acid,2-oxo-6-bromo-2h-1-benzopyran-3-carboxylic acid,2h-1-benzopyran-3-carboxylicacid,6-bromo-2-oxo,2h-1-benzopyran-3-carboxylicacid, 6-bromo-2-oxo
IUPAC Name 6-bromo-2-oxochromene-3-carboxylic acid
InChI Key XFQHPAXNKDYMOX-UHFFFAOYSA-N
Molecular Formula C10H5BrO4
9

5,7-Dihydroxy-4-methylcoumarin, 98%, Thermo Scientific Chemicals

CAS: 2107-76-8 Molecular Formula: C10H8O4 Molecular Weight (g/mol): 192.17 MDL Number: MFCD00016966 InChI Key: QNVWGEJMXOQQPM-UHFFFAOYSA-N Synonym: 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m PubChem CID: 5354284 IUPAC Name: 5,7-dihydroxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=CC(=C12)O)O

PubChem CID 5354284
CAS 2107-76-8
Molecular Weight (g/mol) 192.17
MDL Number MFCD00016966
SMILES CC1=CC(=O)OC2=CC(=CC(=C12)O)O
Synonym 5,7-dihydroxy-4-methylcoumarin,5,7-dihydroxy-4-methyl-2h-chromen-2-one,4-methyllimetol,4-methyl-5,7-dihydroxycoumarin,2h-1-benzopyran-2-one, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-2h-1-benzopyran-2-one,coumarin, 5,7-dihydroxy-4-methyl,5,7-dihydroxy-4-methyl-chromen-2-one,chembl12252,unii-vp62d4346m
IUPAC Name 5,7-dihydroxy-4-methylchromen-2-one
InChI Key QNVWGEJMXOQQPM-UHFFFAOYSA-N
Molecular Formula C10H8O4
10

4-Methoxycoumarin, 98%, Thermo Scientific Chemicals

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
11

6-Nitrocoumarin, 98+%, Thermo Scientific Chemicals

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
12

6,7-Dihydroxy-4-methylcoumarin, 97%, Thermo Scientific Chemicals

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
13

7-Hydroxycoumarin, 99%, Thermo Scientific Chemicals

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 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
InChI Key ORHBXUUXSCNDEV-UHFFFAOYSA-N
Molecular Formula C9H6O3
14

Coumarin-6-sulfonyl chloride, 97%, Thermo Scientific Chemicals

CAS: 10543-42-7 Molecular Formula: C9H5ClO4S Molecular Weight (g/mol): 244.65 MDL Number: MFCD01941320 InChI Key: HQIPMBGUDSOVEA-UHFFFAOYSA-N Synonym: 2-oxo-2h-chromene-6-sulfonyl chloride,coumarin-6-sulfonyl chloride,6-cs-cl,coumarin-6-sulphonyl chloride,2-oxo-2h-chromene-6-sulphonyl chloride,2-oxo-2h-1-benzopyran-6-sulfonyl chloride,6-chlorosulfonyl chromen-2-one,pubchem5506,c6scl,timtec-bb sbb002796 PubChem CID: 2735833 IUPAC Name: 2-oxochromene-6-sulfonyl chloride SMILES: ClS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1

PubChem CID 2735833
CAS 10543-42-7
Molecular Weight (g/mol) 244.65
MDL Number MFCD01941320
SMILES ClS(=O)(=O)C1=CC=C2OC(=O)C=CC2=C1
Synonym 2-oxo-2h-chromene-6-sulfonyl chloride,coumarin-6-sulfonyl chloride,6-cs-cl,coumarin-6-sulphonyl chloride,2-oxo-2h-chromene-6-sulphonyl chloride,2-oxo-2h-1-benzopyran-6-sulfonyl chloride,6-chlorosulfonyl chromen-2-one,pubchem5506,c6scl,timtec-bb sbb002796
IUPAC Name 2-oxochromene-6-sulfonyl chloride
InChI Key HQIPMBGUDSOVEA-UHFFFAOYSA-N
Molecular Formula C9H5ClO4S
15

Dicumarol, Thermo Scientific Chemicals

CAS: 66-76-2 Molecular Formula: C19H12O6 Molecular Weight (g/mol): 336.30 MDL Number: MFCD00006857 InChI Key: DOBMPNYZJYQDGZ-UHFFFAOYSA-N Synonym: dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl PubChem CID: 54676038 ChEBI: CHEBI:4513 IUPAC Name: 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one SMILES: OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12

PubChem CID 54676038
CAS 66-76-2
Molecular Weight (g/mol) 336.30
ChEBI CHEBI:4513
MDL Number MFCD00006857
SMILES OC1=C(CC2=C(O)C3=CC=CC=C3OC2=O)C(=O)OC2=CC=CC=C12
Synonym dicumarol,dicoumarol,bishydroxycoumarin,dicoumarin,melitoxin,antitrombosin,baracoumin,dicoumal,dicumarine,acadyl
IUPAC Name 4-hydroxy-3-[(4-hydroxy-2-oxochromen-3-yl)methyl]chromen-2-one
InChI Key DOBMPNYZJYQDGZ-UHFFFAOYSA-N
Molecular Formula C19H12O6