520-12-7
PECTOLINARIGENIN
Name
PECTOLINARIGENIN
Formula
C17 H14 O6
MolWeight
314.292
1Identification
【Name】
PECTOLINARIGENIN
【CAS】
【MDL】
MFCD00017444
【English Synonyms】
【Formula】
C17 H14 O6
【MolWeight】
314.292
【Inchi】
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3
【InChIKey】
InChIKey=GPQLHGCIAUEJQK-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2cc(=O)c3c(o2)cc(c(c3O)OC)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PECTOLINARIGENIN.cml
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