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123500-08-3 | 2-Piperidinone, 3-[(phenylmethylene)amino]-, (3S)-
CAS No: 123500-08-3 Catalog No: AG000KPM MDL No:
Product Description
Catalog Number:
AG000KPM
Chemical Name:
2-Piperidinone, 3-[(phenylmethylene)amino]-, (3S)-
CAS Number:
123500-08-3
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
(3S)-3-(benzylideneamino)piperidin-2-one
InChI:
InChI=1S/C12H14N2O/c15-12-11(7-4-8-13-12)14-9-10-5-2-1-3-6-10/h1-3,5-6,9,11H,4,7-8H2,(H,13,15)/t11-/m0/s1
InChI Key:
OUZDVZIJMDBLMM-NSHDSACASA-N
SMILES:
O=C1NCCC[C@@H]1N=Cc1ccccc1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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