60426-41-7
NORBENZOYLECGONINE HYDROCHLORIDE
Name
NORBENZOYLECGONINE HYDROCHLORIDE
Formula
C15 H17 N O4 . Cl H
MolWeight
311.763
1Identification
【Name】
NORBENZOYLECGONINE HYDROCHLORIDE
【CAS】
【MDL】
MFCD00798486
【English Synonyms】
【Formula】
C15 H17 N O4 . Cl H
【MolWeight】
311.763
【Inchi】
InChI=1S/C15H17NO4.ClH/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9;/h1-5,10-13,16H,6-8H2,(H,17,18);1H/t10-,11+,12-,13+;/m0./s1
【InChIKey】
InChIKey=SNVXULYEWYGPGU-ZKYYYAMRSA-N
【SMILES】
c1ccc(cc1)C(=O)O[C@H]2C[C@@H]3CC[C@H]([C@H]2C(=O)O)N3.Cl
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
NORBENZOYLECGONINE HYDROCHLORIDE.cml
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Cerilliant Corporation
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