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1214387-19-5 | 3-Pyridinecarboxylic acid, 4-hydroxy-5-nitro-, methyl ester
CAS No: 1214387-19-5 Catalog No: AG0014ZA MDL No:
Product Description
Catalog Number:
AG0014ZA
Chemical Name:
3-Pyridinecarboxylic acid, 4-hydroxy-5-nitro-, methyl ester
CAS Number:
1214387-19-5
Molecular Formula:
C7H6N2O5
Molecular Weight:
198.1329
IUPAC Name:
methyl 5-nitro-4-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C7H6N2O5/c1-14-7(11)4-2-8-3-5(6(4)10)9(12)13/h2-3H,1H3,(H,8,10)
InChI Key:
KRJYDSXOTMFXQV-UHFFFAOYSA-N
SMILES:
COC(=O)c1cncc(c1O)[N+](=O)[O-]
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.134g/mol
Monoisotopic Mass:
198.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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