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Home > Nitro Compounds > 2059974-64-8
2059974-64-8 | 3-acetyl-1-(3-nitrophenyl)piperidin-2-one
CAS No: 2059974-64-8 Catalog No: AG01BQEC MDL No:MFCD30501343
Product Description
Catalog Number:
AG01BQEC
Chemical Name:
3-acetyl-1-(3-nitrophenyl)piperidin-2-one
CAS Number:
2059974-64-8
Molecular Formula:
C13H14N2O4
Molecular Weight:
262.2613
MDL Number:
MFCD30501343
IUPAC Name:
3-acetyl-1-(3-nitrophenyl)piperidin-2-one
InChI:
InChI=1S/C13H14N2O4/c1-9(16)12-6-3-7-14(13(12)17)10-4-2-5-11(8-10)15(18)19/h2,4-5,8,12H,3,6-7H2,1H3
InChI Key:
QZLAIVJTHSKVHS-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCCN(C1=O)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
391
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
262.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
262.265g/mol
Monoisotopic Mass:
262.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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