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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 72 results
1

7-Amino-4-methylcoumarin 98.0+%, TCI America™

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-methyl-2H-chromen-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-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
2

7-Acetoxy-4-bromomethylcoumarin 98.0+%, TCI America™

CAS: 4-8-2747 Molecular Formula: C12H9BrO4 Molecular Weight (g/mol): 297.10 MDL Number: MFCD00010707 InChI Key: YDJFMNSSDOXBSR-UHFFFAOYSA-N PubChem CID: 188296 IUPAC Name: [4-(bromomethyl)-2-oxochromen-7-yl] acetate SMILES: CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr

PubChem CID 188296
CAS 4-8-2747
Molecular Weight (g/mol) 297.10
MDL Number MFCD00010707
SMILES CC(=O)OC1=CC2=C(C=C1)C(=CC(=O)O2)CBr
IUPAC Name [4-(bromomethyl)-2-oxochromen-7-yl] acetate
InChI Key YDJFMNSSDOXBSR-UHFFFAOYSA-N
Molecular Formula C12H9BrO4
3

4-Bromomethyl-6,7-dimethoxycoumarin 98.0+%, TCI America™

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
4

MilliporeSigma™ 7-Amino-4-methylcoumarin, Calbiochem™,

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-methyl-2H-chromen-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-methyl-2H-chromen-2-one
InChI Key GLNDAGDHSLMOKX-UHFFFAOYSA-N
Molecular Formula C10H9NO2
5

6,7-Methylenedioxy-4-methyl-3-maleimidocoumarin 98.0+%, TCI America™

CAS: 97744-90-6 Molecular Formula: C15H9NO6 Molecular Weight (g/mol): 299.238 MDL Number: MFCD00059921 InChI Key: NSFINZUKLACTRX-UHFFFAOYSA-N Synonym: 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin PubChem CID: 44630383 IUPAC Name: 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione SMILES: CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O

PubChem CID 44630383
CAS 97744-90-6
Molecular Weight (g/mol) 299.238
MDL Number MFCD00059921
SMILES CC1=C(C(=O)OC2=CC3=C(C=C12)OCO3)N4C(=O)C=CC4=O
Synonym 3-Maleimido-4-methyl-6,7-methylenedioxycoumarin
IUPAC Name 1-(8-methyl-6-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)pyrrole-2,5-dione
InChI Key NSFINZUKLACTRX-UHFFFAOYSA-N
Molecular Formula C15H9NO6
6

Hexyl 7-(Diethylamino)coumarin-3-carboxylate 98.0+%, TCI America™

CAS: 851963-03-6 Molecular Formula: C20H27NO4 Molecular Weight (g/mol): 345.439 MDL Number: MFCD06797113 InChI Key: TYEFUKSNTLMNBV-UHFFFAOYSA-N Synonym: 7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester PubChem CID: 44629745 IUPAC Name: hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate SMILES: CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O

PubChem CID 44629745
CAS 851963-03-6
Molecular Weight (g/mol) 345.439
MDL Number MFCD06797113
SMILES CCCCCCOC(=O)C1=CC2=C(C=C(C=C2)N(CC)CC)OC1=O
Synonym 7-(Diethylamino)coumarin-3-carboxylic Acid Hexyl Ester
IUPAC Name hexyl 7-(diethylamino)-2-oxochromene-3-carboxylate
InChI Key TYEFUKSNTLMNBV-UHFFFAOYSA-N
Molecular Formula C20H27NO4
7

6-Bromocoumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 2199-87-3 Molecular Formula: C10H5BrO4 Molecular Weight (g/mol): 269.05 MDL Number: MFCD00047640 InChI Key: XFQHPAXNKDYMOX-UHFFFAOYSA-N 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
IUPAC Name 6-bromo-2-oxochromene-3-carboxylic acid
InChI Key XFQHPAXNKDYMOX-UHFFFAOYSA-N
Molecular Formula C10H5BrO4
8

Coumarin 545 97.0+%, TCI America™

CAS: 85642-11-1 Molecular Formula: C22H18N2O2S Molecular Weight (g/mol): 374.458 InChI Key: WYZWJLZUSHFFOR-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5237252 SMILES: C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1

PubChem CID 5237252
CAS 85642-11-1
Molecular Weight (g/mol) 374.458
SMILES C1CC2=C3C(=C4C(=C2)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)CCCN3C1
Synonym 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key WYZWJLZUSHFFOR-UHFFFAOYSA-N
Molecular Formula C22H18N2O2S
9

7-Hydroxycoumarin-3-carboxylic Acid 98.0+%, TCI America™

CAS: 779-27-1 Molecular Formula: C10H6O5 Molecular Weight (g/mol): 206.15 MDL Number: MFCD00017491 InChI Key: LKLWLDOUZJEHDY-UHFFFAOYSA-N Synonym: Umbelliferone-3-carboxylic Acid PubChem CID: 5337757 IUPAC Name: 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid SMILES: OC(=O)C1=CC2=CC=C(O)C=C2OC1=O

PubChem CID 5337757
CAS 779-27-1
Molecular Weight (g/mol) 206.15
MDL Number MFCD00017491
SMILES OC(=O)C1=CC2=CC=C(O)C=C2OC1=O
Synonym Umbelliferone-3-carboxylic Acid
IUPAC Name 7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid
InChI Key LKLWLDOUZJEHDY-UHFFFAOYSA-N
Molecular Formula C10H6O5
10

8-Methoxy-4-methylbenzo[g]coumarin 98.0+%, TCI America™

CAS: 69169-71-7 Molecular Formula: C15H12O3 Molecular Weight (g/mol): 240.26 MDL Number: MFCD00445784 InChI Key: GWFUYESISQUIHB-UHFFFAOYSA-N Synonym: 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one PubChem CID: 12448345 IUPAC Name: 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one SMILES: COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1

PubChem CID 12448345
CAS 69169-71-7
Molecular Weight (g/mol) 240.26
MDL Number MFCD00445784
SMILES COC1=CC=C2C=C3C(C)=CC(=O)OC3=CC2=C1
Synonym 8-Methoxy-4-methyl-2H-naphtho[2,3-b]pyran-2-one
IUPAC Name 8-methoxy-4-methyl-2H-benzo[g]chromen-2-one
InChI Key GWFUYESISQUIHB-UHFFFAOYSA-N
Molecular Formula C15H12O3
11

Coumarin 153 98.0+%, TCI America™

CAS: 53518-18-6 Molecular Formula: C16H14F3NO2 Molecular Weight (g/mol): 309.288 MDL Number: MFCD00041843 InChI Key: VSSSHNJONFTXHS-UHFFFAOYSA-N Synonym: coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one PubChem CID: 72652 ChEBI: CHEBI:51773 SMILES: C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1

PubChem CID 72652
CAS 53518-18-6
Molecular Weight (g/mol) 309.288
ChEBI CHEBI:51773
MDL Number MFCD00041843
SMILES C1CC2=C3C(=C4C(=C2)C(=CC(=O)O4)C(F)(F)F)CCCN3C1
Synonym coumarin 153,pilot 495,c 6f,coumarin 540a,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one, 2,3,6,7-tetrahydro-9-trifluoromethyl,2,3,6,7-tetrahydro-9-trifluoromethyl-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizin-11-one,9-trifluoromethyl-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinolin-11-one,8-trifluoromethyl-2,3,5,6-tetrahydro-1h,4h-11-oxa-3a-aza-benzo de anthracen-10-one
InChI Key VSSSHNJONFTXHS-UHFFFAOYSA-N
Molecular Formula C16H14F3NO2
12

Coumarin 337 98.0+%, TCI America™

CAS: 55804-68-7 Molecular Formula: C16H14N2O2 Molecular Weight (g/mol): 266.30 MDL Number: MFCD00051332 InChI Key: LGDDFMCJIHJNMK-UHFFFAOYSA-N Synonym: coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo PubChem CID: 72654 IUPAC Name: 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile SMILES: O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34

PubChem CID 72654
CAS 55804-68-7
Molecular Weight (g/mol) 266.30
MDL Number MFCD00051332
SMILES O=C1OC2=C3CCCN4CCCC(C=C2C=C1C#N)=C34
Synonym coumarin 337,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,2,3,6,7-tetrahydro-11-oxo-1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,coumarin 523,pubchem13313,1h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile, 2,3,6,7-tetrahydro-11-oxo,11-oxo-2,3,6,7-tetrahydro-1h,5h,11h-pyrano 2,3-f pyrido 3,2,1-ij quinoline-10-carbonitrile,1h,5h,11h-1 benzopyrano 6,7,8-ij quinolizine-10-carbonitrile,2,3,6,7-tetrahydro-11-oxo
IUPAC Name 4-oxo-3-oxa-13-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1,5,7,9(17)-tetraene-5-carbonitrile
InChI Key LGDDFMCJIHJNMK-UHFFFAOYSA-N
Molecular Formula C16H14N2O2
13

Coumarin 6H 97.0+%, TCI America™

CAS: 58336-35-9 Molecular Formula: C15H15NO2 Molecular Weight (g/mol): 241.29 MDL Number: MFCD00227485 InChI Key: MZSOXGPKUOAXNY-UHFFFAOYSA-N Synonym: 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin PubChem CID: 94022 SMILES: C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1

PubChem CID 94022
CAS 58336-35-9
Molecular Weight (g/mol) 241.29
MDL Number MFCD00227485
SMILES C1CC2=C3C(=C4C(=C2)C=CC(=O)O4)CCCN3C1
Synonym 2,3,6,7-Tetrahydro-1H-pyrano[2,3-f]pyrido[3,2,1-ij]quinolin-11(5H)-one, 2,3,5,6-1H,4H-Tetrahydroquinolizino[9,9a,1-gh]coumarin
InChI Key MZSOXGPKUOAXNY-UHFFFAOYSA-N
Molecular Formula C15H15NO2
14

Daphnetin 90.0+%, TCI America™

CAS: 486-35-1 Molecular Formula: C9H6O4 Molecular Weight (g/mol): 178.143 MDL Number: MFCD00016977 InChI Key: ATEFPOUAMCWAQS-UHFFFAOYSA-N Synonym: 7,8-Dihydroxycoumarin PubChem CID: 5280569 ChEBI: CHEBI:17313 IUPAC Name: 7,8-dihydroxychromen-2-one SMILES: C1=CC(=C(C2=C1C=CC(=O)O2)O)O

PubChem CID 5280569
CAS 486-35-1
Molecular Weight (g/mol) 178.143
ChEBI CHEBI:17313
MDL Number MFCD00016977
SMILES C1=CC(=C(C2=C1C=CC(=O)O2)O)O
Synonym 7,8-Dihydroxycoumarin
IUPAC Name 7,8-dihydroxychromen-2-one
InChI Key ATEFPOUAMCWAQS-UHFFFAOYSA-N
Molecular Formula C9H6O4
15

Coumarin 478 98.0+%, TCI America™

CAS: 41175-45-5 Molecular Formula: C18H19NO2 Molecular Weight (g/mol): 281.355 MDL Number: MFCD00041949 InChI Key: LLSRPENMALNOFW-UHFFFAOYSA-N Synonym: coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci PubChem CID: 100336 SMILES: C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23

PubChem CID 100336
CAS 41175-45-5
Molecular Weight (g/mol) 281.355
MDL Number MFCD00041949
SMILES C1CC2=C(C1)C(=O)OC3=C4CCCN5C4=C(CCC5)C=C23
Synonym coumarin 106,coumarin 478,2,3,6,7,10,11-hexahydro-1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,3-oxa-16-azapentacyclo 10.7.1.0 2 , 1 ?.0?,?.0 1 ?, 2 ? icosa-1,5 9 ,10,12 20-tetraen-4-one,coumarin 107,1h,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro,1h,5h-cyclopenta 3,4 1 benzopyrano 6,7,8-ij quinolizin-12 9h-one, 2,3,6,7,10,11-hexahydro-9ci
InChI Key LLSRPENMALNOFW-UHFFFAOYSA-N
Molecular Formula C18H19NO2