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Home > Nitro Compounds > 58373-38-9
58373-38-9 | 5-Nitro-6-phenyltetrahydro-2(1H)-pyridinone
CAS No: 58373-38-9 Catalog No: AG00J9XJ MDL No:MFCD03093602
Product Description
Catalog Number:
AG00J9XJ
Chemical Name:
5-Nitro-6-phenyltetrahydro-2(1H)-pyridinone
CAS Number:
58373-38-9
Molecular Formula:
C11H12N2O3
Molecular Weight:
220.2246
MDL Number:
MFCD03093602
IUPAC Name:
5-nitro-6-phenylpiperidin-2-one
InChI:
InChI=1S/C11H12N2O3/c14-10-7-6-9(13(15)16)11(12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,14)
InChI Key:
GAGVVGLUMJMUDP-UHFFFAOYSA-N
SMILES:
O=C1CCC(C(N1)c1ccccc1)[N+](=O)[O-]
NSC Number:
248008
Properties
Complexity:
281
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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