40624-03-1
5,7-DIHYDROXY-3',4'-METHYLENEDIOXYISOFLAVONE
Name5,7-DIHYDROXY-3',4'-METHYLENEDIOXYISOFLAVONE
1Identification
【Name】
5,7-DIHYDROXY-3',4'-METHYLENEDIOXYISOFLAVONE
【CAS】
【MDL】
MFCD00076040
【English Synonyms】
【Formula】
C16 H10 O6
【MolWeight】
298.249
【Inchi】
InChI=1S/C16H10O6/c17-9-4-11(18)15-14(5-9)20-6-10(16(15)19)8-1-2-12-13(3-8)22-7-21-12/h1-6,17-18H,7H2
【InChIKey】
InChIKey=BNFXYMBRFDJYCH-UHFFFAOYSA-N
【SMILES】
c1cc2c(cc1c3coc4cc(cc(c4c3=O)O)O)OCO2
【MOL File】
5,7-DIHYDROXY-3',4'-….mol
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
5,7-DIHYDROXY-3',4'-METHYLENEDIOXYISOFLAVONE.cml