Coumarin

Catalog	ACM91645-1
CAS	91-64-5
Structure
Description	Coumarin is the primary bioactive ingredient in Radix Glehniae, named Beishashen in China, which possesses many pharmacological activities, including anticancer, anti-inflammation and antivirus activities.
Synonyms	5,6-Benzo-2-pyrone
IUPAC Name	Chromen-2-one
Molecular Weight	146.14
Molecular Formula	C9H6O2
Canonical SMILES	C1=CC=C2C(=C1)C=CC(=O)O2
InChI	InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
InChI Key	ZYGHJZDHTFUPRJ-UHFFFAOYSA-N
Boiling Point	298 °C(lit.)
Melting Point	68-73 °C(lit.)
Flash Point	162 °C
Purity	99%
Density	0.935 g/cm³
Solubility	Freely soluble in oils
Appearance	Solid
Storage	Store below +30 °C
Exact Mass	146.036779430
Monoisotopic Mass	146.036779430
Physical State	Crystalline powder
Refractive Index	1.5100
Storage Conditions	Below +30 °C
Topological Polar Surface Area	26.3 Ų