CAS Registry Number®
305-01-1
CAS Name
Esculetin
Molecular Formula
C9H6O4
Molecular Mass
178.14
Compound Properties
-
Melting Point (1)
276 °C
-
Density (2)
1.56 g/cm³
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Du Toit, Karen; Bioorganic & Medicinal Chemistry, (2005), 13(7), 2561-2568, CAplus
Other Names and Identifiers
InChI
InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H
InChIKey
InChIKey=ILEDWLMCKZNDJK-UHFFFAOYSA-N
SMILES
OC=1C=C2C(=CC1O)C=CC(=O)O2
Canonical SMILES
O=C1OC=2C=C(O)C(O)=CC2C=C1
Other Names for this Substance
- 2H-1-Benzopyran-2-one, 6,7-dihydroxy-
- Coumarin, 6,7-dihydroxy-
- Esculetin
- 6,7-Dihydroxy-2H-1-benzopyran-2-one
- Cichorigenin
- Cichoriin aglycon
- 6,7-Dihydroxycoumarin
- Esculetol
- Esculin aglycon
- Aesculetin
- Asculetine
- NSC 26428
- 6,7-Dihydroxy-2-benzopyrone
