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156896-54-7 | 3-Pyridinecarboxylic acid, 1,2-dihydro-5-nitro-2-oxo-, ethyl ester
CAS No: 156896-54-7 Catalog No: AG001P1R MDL No:MFCD10699720
Product Description
Catalog Number:
AG001P1R
Chemical Name:
3-Pyridinecarboxylic acid, 1,2-dihydro-5-nitro-2-oxo-, ethyl ester
CAS Number:
156896-54-7
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
MDL Number:
MFCD10699720
IUPAC Name:
ethyl 5-nitro-2-oxo-1H-pyridine-3-carboxylate
InChI:
InChI=1S/C8H8N2O5/c1-2-15-8(12)6-3-5(10(13)14)4-9-7(6)11/h3-4H,2H2,1H3,(H,9,11)
InChI Key:
FRPVIVOIVRFMPE-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(c[nH]c1=O)[N+](=O)[O-]
Properties
Complexity:
377
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.043g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.161g/mol
Monoisotopic Mass:
212.043g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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