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86224-71-7 | 1-Piperidinecarboxylic acid, 4-oxo-, (4-nitrophenyl)methyl ester
CAS No: 86224-71-7 Catalog No: AG004JTP MDL No:
Product Description
Catalog Number:
AG004JTP
Chemical Name:
1-Piperidinecarboxylic acid, 4-oxo-, (4-nitrophenyl)methyl ester
CAS Number:
86224-71-7
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
IUPAC Name:
(4-nitrophenyl)methyl 4-oxopiperidine-1-carboxylate
InChI:
InChI=1S/C13H14N2O5/c16-12-5-7-14(8-6-12)13(17)20-9-10-1-3-11(4-2-10)15(18)19/h1-4H,5-9H2
InChI Key:
FPXZORRDJKNYDR-UHFFFAOYSA-N
SMILES:
O=C1CCN(CC1)C(=O)OCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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