Isofraxidin

CAS	486-21-5
Structure
Synonyms	6,8-Dimethoxy-7-hydroxy-2H-1-benzopyran-2-one
IUPAC Name	7-Hydroxy-6,8-dimethoxychromen-2-one
Molecular Weight	222.19
Molecular Formula	C11H10O5
Canonical SMILES	COC1=C(C(=C2C(=C1)C=CC(=O)O2)OC)O
InChI	InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)11(15-2)9(7)13/h3-5,13H,1-2H3
InChI Key	HOEVRHHMDJKUMZ-UHFFFAOYSA-N
Boiling Point	452.1±45.0 °C
Melting Point	145-147 °C
Purity	98%
Density	1.358±0.06 g/ml
pKa	7.92±0.20
Appearance	Powder