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Home > Nitro Compounds > 2059966-30-0
2059966-30-0 | 1-(2-nitrophenyl)-3-propanoylpiperidin-2-one
CAS No: 2059966-30-0 Catalog No: AG01BYZD MDL No:MFCD30487594
Product Description
Catalog Number:
AG01BYZD
Chemical Name:
1-(2-nitrophenyl)-3-propanoylpiperidin-2-one
CAS Number:
2059966-30-0
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD30487594
IUPAC Name:
1-(2-nitrophenyl)-3-propanoylpiperidin-2-one
InChI:
InChI=1S/C14H16N2O4/c1-2-13(17)10-6-5-9-15(14(10)18)11-7-3-4-8-12(11)16(19)20/h3-4,7-8,10H,2,5-6,9H2,1H3
InChI Key:
SQUCHBLNURSNJO-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCN(C1=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
405
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.292g/mol
Monoisotopic Mass:
276.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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