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Home > Nitro Compounds > 2059999-73-2
2059999-73-2 | 1-(4-nitrophenyl)-3-propanoylpiperidin-2-one
CAS No: 2059999-73-2 Catalog No: AG01BYZM MDL No:MFCD30487603
Product Description
Catalog Number:
AG01BYZM
Chemical Name:
1-(4-nitrophenyl)-3-propanoylpiperidin-2-one
CAS Number:
2059999-73-2
Molecular Formula:
C14H16N2O4
Molecular Weight:
276.2878
MDL Number:
MFCD30487603
IUPAC Name:
1-(4-nitrophenyl)-3-propanoylpiperidin-2-one
InChI:
InChI=1S/C14H16N2O4/c1-2-13(17)12-4-3-9-15(14(12)18)10-5-7-11(8-6-10)16(19)20/h5-8,12H,2-4,9H2,1H3
InChI Key:
XFKZSDQXHQXLGB-UHFFFAOYSA-N
SMILES:
CCC(=O)C1CCCN(C1=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
397
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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