Demethylvestitol

Catalog	BBC65332458
CAS	65332-45-8
Structure
Synonyms	2',4',7-Trihydroxyisoflavan
IUPAC Name	4-(7-hydroxy-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol
Molecular Weight	258.27
Molecular Formula	C15H14O4
Canonical SMILES	C1C(COC2=C1C=CC(=C2)O)C3=C(C=C(C=C3)O)O
InChI	InChI=1S/C15H14O4/c16-11-3-4-13(14(18)6-11)10-5-9-1-2-12(17)7-15(9)19-8-10/h1-4,6-7,10,16-18H,5,8H2
InChI Key	CJZBXHPHEBCWLV-UHFFFAOYSA-N
Boiling Point	490.9±34.0 °C
Purity	98%
Density	1.382±0.06 g/ml
Appearance	Solid
pKa	9.69±0.40