2-[(R)-3,4-Dihydro-7-methoxy-2H-1-benzopyran-3-yl]-5-methoxyphenol

Catalog	BBC60102296
CAS	60102-29-6
Structure
Synonyms	Isosativan
IUPAC Name	5-methoxy-2-[(3R)-7-methoxy-3,4-dihydro-2H-chromen-3-yl]phenol
Molecular Weight	286.32
Molecular Formula	C17H18O4
Canonical SMILES	COC1=CC(=C(C=C1)[C@H]2CC3=C(C=C(C=C3)OC)OC2)O
InChI	InChI=1S/C17H18O4/c1-19-13-5-6-15(16(18)8-13)12-7-11-3-4-14(20-2)9-17(11)21-10-12/h3-6,8-9,12,18H,7,10H2,1-2H3/t12-/m0/s1
InChI Key	FWAWTPASGRNXTO-LBPRGKRZSA-N
Boiling Point	397.4±42.0 °C
Melting Point	152-154 °C
Purity	98%
Density	1.203±0.06 g/ml
Appearance	Solid
pKa	9.51±0.40