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Home > Nitro Compounds > 23499-01-6
23499-01-6 | 4-Piperidinone, 1-(4-nitrophenyl)-
CAS No: 23499-01-6 Catalog No: AG002NEF MDL No:MFCD00231570
Product Description
Catalog Number:
AG002NEF
Chemical Name:
4-Piperidinone, 1-(4-nitrophenyl)-
CAS Number:
23499-01-6
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD00231570
IUPAC Name:
1-(4-nitrophenyl)piperidin-4-one
InChI:
InChI=1S/C11H12N2O3/c14-11-5-7-12(8-6-11)9-1-3-10(4-2-9)13(15)16/h1-4H,5-8H2
InChI Key:
CRGRJUULGQHKOZ-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
269
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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