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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 of 6 results
1

7-Methoxycoumarin-4-acetic acid

CAS: 62935-72-2 Molecular Formula: C12H10O5 Molecular Weight (g/mol): 234.21 MDL Number: MFCD00009774 InChI Key: ZEKAXIFHLIITGV-UHFFFAOYSA-N Synonym: 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh PubChem CID: 342221 ChEBI: CHEBI:51666 IUPAC Name: 2-(7-methoxy-2-oxochromen-4-yl)acetic acid SMILES: COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1

PubChem CID 342221
CAS 62935-72-2
Molecular Weight (g/mol) 234.21
ChEBI CHEBI:51666
MDL Number MFCD00009774
SMILES COC1=CC=C2C(CC(O)=O)=CC(=O)OC2=C1
Synonym 7-methoxycoumarin-4-acetic acid,2-7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl acetic acid,7-methoxy-2-oxo-2h-1-benzopyran-4-acetic acid,2h-1-benzopyran-4-acetic acid, 7-methoxy-2-oxo,2-7-methoxy-2-oxochromen-4-yl acetic acid,7-methoxy-2-oxo-2h-chromen-4-yl-acetic acid,7-methoxycoumarin-4-yl acetic acid,7-methoxy-2-oxochromen-4-yl acetic acid,mca-oh
IUPAC Name 2-(7-methoxy-2-oxochromen-4-yl)acetic acid
InChI Key ZEKAXIFHLIITGV-UHFFFAOYSA-N
Molecular Formula C12H10O5
2

7-Hydroxycoumarinyl-4-acetic acid, 97%

CAS: 6950-82-9 Molecular Formula: C11H8O5 Molecular Weight (g/mol): 220.18 MDL Number: MFCD00037563 InChI Key: BNHPMQBVNXMPDU-UHFFFAOYSA-N Synonym: 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid PubChem CID: 5338490 IUPAC Name: 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid SMILES: C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O

PubChem CID 5338490
CAS 6950-82-9
Molecular Weight (g/mol) 220.18
MDL Number MFCD00037563
SMILES C1=CC2=C(C=C1O)OC(=O)C=C2CC(=O)O
Synonym 7-hydroxycoumarin-4-acetic acid,2-7-hydroxy-2-oxo-2h-chromen-4-yl acetic acid,umbelliferone-4-acetic acid,7-hydroxy-2-oxo-2h-1-benzopyran-4-acetic acid,chembl12253,2-7-hydroxy-2-oxochromen-4-yl acetic acid,7-hydroxy-4-coumarinylacetic acid,2h-1-benzopyran-4-acetic acid, 7-hydroxy-2-oxo,7-hydroxycoumarin-4-yl acetic acid,7-hydroxy-2-oxochromen-4-yl acetic acid
IUPAC Name 2-(7-hydroxy-2-oxochromen-4-yl)acetic acid
InChI Key BNHPMQBVNXMPDU-UHFFFAOYSA-N
Molecular Formula C11H8O5
3

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
4

Esculin hydrate, 97%

CAS: 531-75-9 Molecular Formula: C15H16O9 Molecular Weight (g/mol): 340.28 MDL Number: MFCD00149492 InChI Key: XHCADAYNFIFUHF-TYKRLAFXNA-N Synonym: esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside PubChem CID: 5281417 ChEBI: CHEBI:4853 IUPAC Name: 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one SMILES: OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O

PubChem CID 5281417
CAS 531-75-9
Molecular Weight (g/mol) 340.28
ChEBI CHEBI:4853
MDL Number MFCD00149492
SMILES OC[C@H]1O[C@@H](OC2=C(O)C=C3OC(=O)C=CC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
Synonym esculin,aesculin,esculoside,--esculin,polychrome,6,7-dihydroxycoumarin-6-o-glucoside,aesculinum,esculine,esculetin 6-o-glucoside,6,7-dihydroxycoumarin 6-glucoside
IUPAC Name 7-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one
InChI Key XHCADAYNFIFUHF-TYKRLAFXNA-N
Molecular Formula C15H16O9
5

7-Hydroxycoumarin, 99%

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
6

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