CAS Registry Number®
92-61-5
CAS Name
Scopoletin
Molecular Formula
C10H8O4
Molecular Mass
192.17
Compound Properties
-
Melting Point (1)
204 °C
-
Density (2)
1.37 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/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
InChIKey
InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N
SMILES
O(C)C=1C=C2C(=CC1O)OC(=O)C=C2
Canonical SMILES
O=C1OC=2C=C(O)C(OC)=CC2C=C1
Other Names for this Substance
- 2H-1-Benzopyran-2-one, 7-hydroxy-6-methoxy-
- Coumarin, 7-hydroxy-6-methoxy-
- 7-Hydroxy-6-methoxy-2H-1-benzopyran-2-one
- Chrysatropic acid
- Esculetin 6-methyl ether
- Gelseminic acid
- 7-Hydroxy-6-methoxycoumarin
- 6-Methoxy-7-hydroxycoumarin
- β-Methylesculetin
- Murrayetin
- Scopoletin
- 6-Methylesculetin
- Scopoletol
- Scopoletine
- Escopoletin
- 6-O-Methylesculetin
- Buxuletin
- NSC 405647
- MeSH ID: D012603
