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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121 – 135 of 579 results

121

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

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Specifications

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

122

N-Succinimidyl 7-Hydroxycoumarin-3-carboxylate 96.0+%, TCI America™

CAS: 134471-24-2 Molecular Formula: C14H9NO7 Molecular Weight (g/mol): 303.226 MDL Number: MFCD00037568 InChI Key: KFEBWCYYRFZMTJ-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid N-Succinimidyl Ester, N-Succinimidyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid N-Succinimidyl Ester PubChem CID: 5706554 IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate SMILES: C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O

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Specifications

PubChem CID	5706554
CAS	134471-24-2
Molecular Weight (g/mol)	303.226
MDL Number	MFCD00037568
SMILES	C1CC(=O)N(C1=O)OC(=O)C2=CC3=C(C=C(C=C3)O)OC2=O
Synonym	7-Hydroxycoumarin-3-carboxylic Acid N-Succinimidyl Ester, N-Succinimidyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid N-Succinimidyl Ester
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) 7-hydroxy-2-oxochromene-3-carboxylate
InChI Key	KFEBWCYYRFZMTJ-UHFFFAOYSA-N
Molecular Formula	C14H9NO7

123

Coumarin-3-carbonitrile 98.0+%, TCI America™

CAS: 15119-34-3 Molecular Formula: C10H5NO2 Molecular Weight (g/mol): 171.16 MDL Number: MFCD00115699 InChI Key: QKJALQPLNMEDAV-UHFFFAOYSA-N Synonym: 3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq PubChem CID: 203763 IUPAC Name: 2-oxo-2H-chromene-3-carbonitrile SMILES: O=C1OC2=CC=CC=C2C=C1C#N

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Specifications

PubChem CID	203763
CAS	15119-34-3
Molecular Weight (g/mol)	171.16
MDL Number	MFCD00115699
SMILES	O=C1OC2=CC=CC=C2C=C1C#N
Synonym	3-cyanocoumarin,2-oxo-2h-chromene-3-carbonitrile,coumarin-3-carbonitrile,2h-1-benzopyran-3-carbonitrile, 2-oxo,2-oxo-2h-1-benzopyran-3-carbonitrile,coumarin, 3-cyano-7ci,8ci,3-cyano-coumarin,pubchem8675,acmc-1cfdq
IUPAC Name	2-oxo-2H-chromene-3-carbonitrile
InChI Key	QKJALQPLNMEDAV-UHFFFAOYSA-N
Molecular Formula	C10H5NO2

124

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

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Specifications

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

125

6-Bromo-4-hydroxycoumarin 98.0+%, TCI America™

CAS: 4139-61-1 Molecular Formula: C9H5BrO3 Molecular Weight (g/mol): 241.04 MDL Number: MFCD00239372 InChI Key: KNMCTCABMSGXGR-UHFFFAOYSA-N PubChem CID: 54691404 IUPAC Name: 6-bromo-4-hydroxychromen-2-one SMILES: C1=CC2=C(C=C1Br)C(=CC(=O)O2)O

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Specifications

PubChem CID	54691404
CAS	4139-61-1
Molecular Weight (g/mol)	241.04
MDL Number	MFCD00239372
SMILES	C1=CC2=C(C=C1Br)C(=CC(=O)O2)O
IUPAC Name	6-bromo-4-hydroxychromen-2-one
InChI Key	KNMCTCABMSGXGR-UHFFFAOYSA-N
Molecular Formula	C9H5BrO3

126

Coumarin 545T 98.0+%, TCI America™

CAS: 155306-71-1 Molecular Formula: C26H26N2O2S Molecular Weight (g/mol): 430.566 MDL Number: MFCD03427187 InChI Key: MSDMPJCOOXURQD-UHFFFAOYSA-N Synonym: 10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one PubChem CID: 5112805 ChEBI: CHEBI:51896 SMILES: CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C

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Specifications

PubChem CID	5112805
CAS	155306-71-1
Molecular Weight (g/mol)	430.566
ChEBI	CHEBI:51896
MDL Number	MFCD03427187
SMILES	CC1(CCN2CCC(C3=C4C(=CC1=C32)C=C(C(=O)O4)C5=NC6=CC=CC=C6S5)(C)C)C
Synonym	10-(2-Benzothiazolyl)-2,3,6,7-tetrahydro-1,1,7,7-tetramethyl-1H,5H,11H-[1]benzopyrano[6,7,8-ij]quinolizin-11-one
InChI Key	MSDMPJCOOXURQD-UHFFFAOYSA-N
Molecular Formula	C26H26N2O2S

127

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

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Specifications

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

128

6,7-Dimethoxy-4-methylcoumarin 98.0+%, TCI America™

CAS: 4281-40-7 Molecular Formula: C12H12O4 Molecular Weight (g/mol): 220.224 MDL Number: MFCD00012338 InChI Key: GBYDSYPGGDKWGZ-UHFFFAOYSA-N PubChem CID: 77966 IUPAC Name: 6,7-dimethoxy-4-methylchromen-2-one SMILES: CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC

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Specifications

PubChem CID	77966
CAS	4281-40-7
Molecular Weight (g/mol)	220.224
MDL Number	MFCD00012338
SMILES	CC1=CC(=O)OC2=CC(=C(C=C12)OC)OC
IUPAC Name	6,7-dimethoxy-4-methylchromen-2-one
InChI Key	GBYDSYPGGDKWGZ-UHFFFAOYSA-N
Molecular Formula	C12H12O4

129

7-(Diethylamino)-3-(2-thienyl)coumarin 98.0+%, TCI America™

CAS: 117850-52-9 Molecular Formula: C17H17NO2S Molecular Weight (g/mol): 299.39 MDL Number: MFCD29089355 InChI Key: ALJRTBKJTPXLCD-UHFFFAOYSA-N PubChem CID: 57494118 IUPAC Name: 7-(diethylamino)-3-(thiophen-2-yl)-2H-chromen-2-one SMILES: CCN(CC)C1=CC=C2C=C(C3=CC=CS3)C(=O)OC2=C1

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Specifications

PubChem CID	57494118
CAS	117850-52-9
Molecular Weight (g/mol)	299.39
MDL Number	MFCD29089355
SMILES	CCN(CC)C1=CC=C2C=C(C3=CC=CS3)C(=O)OC2=C1
IUPAC Name	7-(diethylamino)-3-(thiophen-2-yl)-2H-chromen-2-one
InChI Key	ALJRTBKJTPXLCD-UHFFFAOYSA-N
Molecular Formula	C17H17NO2S

130

6-Nitrocoumarin 98.0+%, TCI America™

CAS: 2725-81-7 Molecular Formula: C9H5NO4 Molecular Weight (g/mol): 191.142 MDL Number: MFCD00016973 InChI Key: RMERXEXZXIVNBF-UHFFFAOYSA-N Synonym: 6-nitrocoumarin,6-nitro-2h-chromen-2-one,6-nitro-2-benzopyrone,2h-1-benzopyran-2-one, 6-nitro,acmc-20abd6,maybridge1_002226,amtgc084,6-nitro-2h-chromen-2-one #,2h-1-benzopyran-2-one,6-nitro,6-hydroxy oxido amino-2h-chromen-2-one PubChem CID: 75944 IUPAC Name: 6-nitrochromen-2-one SMILES: C1=CC2=C(C=CC(=O)O2)C=C1[N+](=O)[O-]

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Specifications

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-]
Synonym	6-nitrocoumarin,6-nitro-2h-chromen-2-one,6-nitro-2-benzopyrone,2h-1-benzopyran-2-one, 6-nitro,acmc-20abd6,maybridge1_002226,amtgc084,6-nitro-2h-chromen-2-one #,2h-1-benzopyran-2-one,6-nitro,6-hydroxy oxido amino-2h-chromen-2-one
IUPAC Name	6-nitrochromen-2-one
InChI Key	RMERXEXZXIVNBF-UHFFFAOYSA-N
Molecular Formula	C9H5NO4

131

Ethyl 7-Hydroxycoumarin-3-carboxylate 98.0+%, TCI America™

CAS: 6093-71-6 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.207 MDL Number: MFCD00017641 InChI Key: IETDBZQIWIJQJG-UHFFFAOYSA-N Synonym: 7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester PubChem CID: 5289613 IUPAC Name: ethyl 7-hydroxy-2-oxochromene-3-carboxylate SMILES: CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O

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Specifications

PubChem CID	5289613
CAS	6093-71-6
Molecular Weight (g/mol)	234.207
MDL Number	MFCD00017641
SMILES	CCOC(=O)C1=CC2=C(C=C(C=C2)O)OC1=O
Synonym	7-Hydroxycoumarin-3-carboxylic Acid Ethyl Ester, Ethyl Umbelliferone-3-carboxylate, Umbelliferone-3-carboxylic Acid Ethyl Ester
IUPAC Name	ethyl 7-hydroxy-2-oxochromene-3-carboxylate
InChI Key	IETDBZQIWIJQJG-UHFFFAOYSA-N
Molecular Formula	C12H10O5

132

4-Hydroxycoumarin 98.0+%, TCI America™

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: 2-hydroxy-4H-chromen-4-one SMILES: OC1=CC(=O)C2=CC=CC=C2O1

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Specifications

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	2-hydroxy-4H-chromen-4-one
InChI Key	OWBBAPRUYLEWRR-UHFFFAOYSA-N
Molecular Formula	C9H6O3

133

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

CAS: 51473-74-6 Molecular Formula: C14H14N2O2 Molecular Weight (g/mol): 242.278 MDL Number: MFCD00068688 InChI Key: LOUYEVRVQGFIFB-UHFFFAOYSA-N Synonym: 3-Cyano-7-(diethylamino)coumarin PubChem CID: 688937 IUPAC Name: 7-(diethylamino)-2-oxochromene-3-carbonitrile SMILES: CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N

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Specifications

PubChem CID	688937
CAS	51473-74-6
Molecular Weight (g/mol)	242.278
MDL Number	MFCD00068688
SMILES	CCN(CC)C1=CC2=C(C=C1)C=C(C(=O)O2)C#N
Synonym	3-Cyano-7-(diethylamino)coumarin
IUPAC Name	7-(diethylamino)-2-oxochromene-3-carbonitrile
InChI Key	LOUYEVRVQGFIFB-UHFFFAOYSA-N
Molecular Formula	C14H14N2O2

134

7-(Ethylamino)-4,6-dimethylcoumarin 98.0+%, TCI America™

CAS: 26078-25-1 Molecular Formula: C13H15NO2 Molecular Weight (g/mol): 217.268 MDL Number: MFCD00006860 InChI Key: QZXAEJGHNXJTSE-UHFFFAOYSA-N Synonym: coumarin 2,4,6-dimethyl-7-ethylamino coumarin,7-ethylamino-4,6-dimethyl coumarin,7-ethylamino-4,6-dimethyl-2h-chromen-2-one,7-ethylamino-4,6-dimethyl-chromen-2-one,4,6-dimethyl-7-ethylaminocoumarin,coumarin, 7-ethylamino-4,6-dimethyl,2h-1-benzopyran-2-one, 7-ethylamino-4,6-dimethyl,coumarin 450,ccris 4958 PubChem CID: 96929 IUPAC Name: 7-(ethylamino)-4,6-dimethylchromen-2-one SMILES: CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C

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Specifications

PubChem CID	96929
CAS	26078-25-1
Molecular Weight (g/mol)	217.268
MDL Number	MFCD00006860
SMILES	CCNC1=C(C=C2C(=CC(=O)OC2=C1)C)C
Synonym	coumarin 2,4,6-dimethyl-7-ethylamino coumarin,7-ethylamino-4,6-dimethyl coumarin,7-ethylamino-4,6-dimethyl-2h-chromen-2-one,7-ethylamino-4,6-dimethyl-chromen-2-one,4,6-dimethyl-7-ethylaminocoumarin,coumarin, 7-ethylamino-4,6-dimethyl,2h-1-benzopyran-2-one, 7-ethylamino-4,6-dimethyl,coumarin 450,ccris 4958
IUPAC Name	7-(ethylamino)-4,6-dimethylchromen-2-one
InChI Key	QZXAEJGHNXJTSE-UHFFFAOYSA-N
Molecular Formula	C13H15NO2

135

Esculetin 98.0+%, TCI America™

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

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Specifications

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

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