56969-22-3
OXAPADOL
Name
OXAPADOL
Formula
C17 H14 N2 O2
MolWeight
278.31
1Identification
【Name】
OXAPADOL
【CAS】
【MDL】
MFCD01729430
【English Synonyms】
【Formula】
C17 H14 N2 O2
【MolWeight】
278.31
【Inchi】
InChI=1S/C17H14N2O2/c1-2-6-12(7-3-1)17-16-18-14-8-4-5-9-15(14)19(16)10-13(21-17)11-20-17/h1-9,13H,10-11H2/t13-,17+/m0/s1
【InChIKey】
InChIKey=LCXASZQUGJCXBG-SUMWQHHRSA-N
【SMILES】
c1ccc(cc1)[C@]23c4nc5ccccc5n4C[C@H](O2)CO3
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
OXAPADOL.cml
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