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Home > Nitro Compounds > 823785-95-1
823785-95-1 | 2-Piperidinone, 6-methyl-3-(4-nitrophenyl)-1-(phenylmethyl)-
CAS No: 823785-95-1 Catalog No: AG004YLX MDL No:
Product Description
Catalog Number:
AG004YLX
Chemical Name:
2-Piperidinone, 6-methyl-3-(4-nitrophenyl)-1-(phenylmethyl)-
CAS Number:
823785-95-1
Molecular Formula:
C19H20N2O3
Molecular Weight:
324.3737
IUPAC Name:
1-benzyl-6-methyl-3-(4-nitrophenyl)piperidin-2-one
InChI:
InChI=1S/C19H20N2O3/c1-14-7-12-18(16-8-10-17(11-9-16)21(23)24)19(22)20(14)13-15-5-3-2-4-6-15/h2-6,8-11,14,18H,7,12-13H2,1H3
InChI Key:
BUNYMPGUNYLHHH-UHFFFAOYSA-N
SMILES:
CC1CCC(C(=O)N1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
448
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.147g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.38g/mol
Monoisotopic Mass:
324.147g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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