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Home > Nitro Compounds > 89451-49-0
89451-49-0 | 1-Propanone, 3-(3-nitrophenyl)-1-phenyl-3-(1-piperidinyl)-
CAS No: 89451-49-0 Catalog No: AG00433V MDL No:
Product Description
Catalog Number:
AG00433V
Chemical Name:
1-Propanone, 3-(3-nitrophenyl)-1-phenyl-3-(1-piperidinyl)-
CAS Number:
89451-49-0
Molecular Formula:
C20H22N2O3
Molecular Weight:
338.4003
IUPAC Name:
3-(3-nitrophenyl)-1-phenyl-3-piperidin-1-ylpropan-1-one
InChI:
InChI=1S/C20H22N2O3/c23-20(16-8-3-1-4-9-16)15-19(21-12-5-2-6-13-21)17-10-7-11-18(14-17)22(24)25/h1,3-4,7-11,14,19H,2,5-6,12-13,15H2
InChI Key:
VWJXBNKMOYGZIM-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CC(c1cccc(c1)[N+](=O)[O-])N1CCCCC1
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.163g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
338.407g/mol
Monoisotopic Mass:
338.163g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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