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1268520-00-8 | 1-Piperidinecarboxylic acid, 4-nitro-, phenylmethyl ester
CAS No: 1268520-00-8 Catalog No: AG000TCS MDL No:MFCD18633013
Product Description
Catalog Number:
AG000TCS
Chemical Name:
1-Piperidinecarboxylic acid, 4-nitro-, phenylmethyl ester
CAS Number:
1268520-00-8
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
MDL Number:
MFCD18633013
IUPAC Name:
benzyl 4-nitropiperidine-1-carboxylate
InChI:
InChI=1S/C13H16N2O4/c16-13(19-10-11-4-2-1-3-5-11)14-8-6-12(7-9-14)15(17)18/h1-5,12H,6-10H2
InChI Key:
KGKFRBBNVOEUCI-UHFFFAOYSA-N
SMILES:
O=C(N1CCC(CC1)[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.281g/mol
Monoisotopic Mass:
264.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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