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89860-71-9 | 2-Piperidinecarboxylic acid, 1-(2-nitro-3-pyridinyl)-, methyl ester
CAS No: 89860-71-9 Catalog No: AG003X2C MDL No:
Product Description
Catalog Number:
AG003X2C
Chemical Name:
2-Piperidinecarboxylic acid, 1-(2-nitro-3-pyridinyl)-, methyl ester
CAS Number:
89860-71-9
Molecular Formula:
C12H15N3O4
Molecular Weight:
265.2652
IUPAC Name:
methyl 1-(2-nitropyridin-3-yl)piperidine-2-carboxylate
InChI:
InChI=1S/C12H15N3O4/c1-19-12(16)10-5-2-3-8-14(10)9-6-4-7-13-11(9)15(17)18/h4,6-7,10H,2-3,5,8H2,1H3
InChI Key:
CAWWWSUTCZMEBT-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCCN1c1cccnc1[N+](=O)[O-]
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.269g/mol
Monoisotopic Mass:
265.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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