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102637-13-8 | 1-Piperidinecarboxylic acid, (4-nitrophenyl)methyl ester
CAS No: 102637-13-8 Catalog No: AG0007ZS MDL No:
Product Description
Catalog Number:
AG0007ZS
Chemical Name:
1-Piperidinecarboxylic acid, (4-nitrophenyl)methyl ester
CAS Number:
102637-13-8
Molecular Formula:
C13H16N2O4
Molecular Weight:
264.2771
IUPAC Name:
(4-nitrophenyl)methyl piperidine-1-carboxylate
InChI:
InChI=1S/C13H16N2O4/c16-13(14-8-2-1-3-9-14)19-10-11-4-6-12(7-5-11)15(17)18/h4-7H,1-3,8-10H2
InChI Key:
NNSKHHNLVSQOBT-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1)OCc1ccc(cc1)[N+](=O)[O-]
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:
2.6
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