Ailanthoidol

CAS	156398-61-7
Synonyms	Phenol, 4-[5-[(1E)-3-hydroxy-1-propen-1-yl]-7-methoxy-2-benzofuranyl]-2-methoxy-
IUPAC Name	4-[5-[(E)-3-hydroxyprop-1-enyl]-7-methoxy-1-benzofuran-2-yl]-2-methoxyphenol
Molecular Weight	326.34
Molecular Formula	C19H18O5
Canonical SMILES	COC1=C(C=CC(=C1)C2=CC3=CC(=CC(=C3O2)OC)C=CCO)O
InChI	InChI=1S/C19H18O5/c1-22-17-10-13(5-6-15(17)21)16-11-14-8-12(4-3-7-20)9-18(23-2)19(14)24-16/h3-6,8-11,20-21H,7H2,1-2H3/b4-3+
InChI Key	ZDQCRQVGMKIBPN-ONEGZZNKSA-N
Boiling Point	539.0±45.0 °C
Melting Point	199-201 °C
Purity	98%
Density	1.272±0.06 g/ml
pKa	9.31±0.20
Appearance	Powder