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303994-58-3 | 4-Piperidinecarboxylic acid, 1-(4-nitrobenzoyl)-
CAS No: 303994-58-3 Catalog No: AG002ZZQ MDL No:MFCD01568757
Product Description
Catalog Number:
AG002ZZQ
Chemical Name:
4-Piperidinecarboxylic acid, 1-(4-nitrobenzoyl)-
CAS Number:
303994-58-3
Molecular Formula:
C13H14N2O5
Molecular Weight:
278.2607
MDL Number:
MFCD01568757
IUPAC Name:
1-(4-nitrobenzoyl)piperidine-4-carboxylic acid
InChI:
InChI=1S/C13H14N2O5/c16-12(9-1-3-11(4-2-9)15(19)20)14-7-5-10(6-8-14)13(17)18/h1-4,10H,5-8H2,(H,17,18)
InChI Key:
VFTSLMZECVJNRT-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
390
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:
1
Isotope Atom Count:
0
Molecular Weight:
278.264g/mol
Monoisotopic Mass:
278.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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