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88460-90-6 | 2-Piperidinone, 6-(2-oxo-2-phenylethyl)-1-(phenylmethyl)-
CAS No: 88460-90-6 Catalog No: AG004CNJ MDL No:
Product Description
Catalog Number:
AG004CNJ
Chemical Name:
2-Piperidinone, 6-(2-oxo-2-phenylethyl)-1-(phenylmethyl)-
CAS Number:
88460-90-6
Molecular Formula:
C20H21NO2
Molecular Weight:
307.3862
IUPAC Name:
1-benzyl-6-phenacylpiperidin-2-one
InChI:
InChI=1S/C20H21NO2/c22-19(17-10-5-2-6-11-17)14-18-12-7-13-20(23)21(18)15-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2
InChI Key:
XDEALHYMRKAGTL-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC1CCCC(=O)N1Cc1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.157g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.393g/mol
Monoisotopic Mass:
307.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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