522-16-7
AURANTINE
Name
AURANTINE
Formula
C20 H20 O7
MolWeight
372.371
1Identification
【Name】
AURANTINE
【CAS】
【MDL】
MFCD01742122
【English Synonyms】
【Formula】
C20 H20 O7
【MolWeight】
372.371
【Inchi】
InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)16-19(25-4)15(21)13-10-14(23-2)18(24-3)20(26-5)17(13)27-16/h6-10H,1-5H3
【InChIKey】
InChIKey=DGNOHOXRWCCDLK-UHFFFAOYSA-N
【SMILES】
COc1ccc(cc1)c2c(c(=O)c3cc(c(c(c3o2)OC)OC)OC)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
AURANTINE.cml
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