54063-23-9
CINEPAZIC ACID
Name
CINEPAZIC ACID
Formula
C18 H24 N2 O6
MolWeight
364.396
1Identification
【Name】
CINEPAZIC ACID
【CAS】
【MDL】
MFCD00864684
【English Synonyms】
【Formula】
C18 H24 N2 O6
【MolWeight】
364.396
【Inchi】
InChI=1S/C18H24N2O6/c1-24-14-10-13(11-15(25-2)18(14)26-3)4-5-16(21)20-8-6-19(7-9-20)12-17(22)23/h4-5,10-11H,6-9,12H2,1-3H3,(H,22,23)/b5-4+
【InChIKey】
InChIKey=XDCDHIJFRRLVST-SNAWJCMRSA-N
【SMILES】
COc1cc(cc(c1OC)OC)/C=C/C(=O)N2CCN(CC2)CC(=O)O
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:8
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CINEPAZIC ACID.cml
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