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89860-69-5 | 2-Piperidinecarboxylic acid, 1-(2-nitro-3-pyridinyl)-
CAS No: 89860-69-5 Catalog No: AG003X2D MDL No:
Product Description
Catalog Number:
AG003X2D
Chemical Name:
2-Piperidinecarboxylic acid, 1-(2-nitro-3-pyridinyl)-
CAS Number:
89860-69-5
Molecular Formula:
C11H13N3O4
Molecular Weight:
251.2386
IUPAC Name:
1-(2-nitropyridin-3-yl)piperidine-2-carboxylic acid
InChI:
InChI=1S/C11H13N3O4/c15-11(16)9-4-1-2-7-13(9)8-5-3-6-12-10(8)14(17)18/h3,5-6,9H,1-2,4,7H2,(H,15,16)
InChI Key:
STNJRJAIUWMGRO-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCCN1c1cccnc1[N+](=O)[O-]
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.091g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.242g/mol
Monoisotopic Mass:
251.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
99.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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