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247582-60-1 | 3-Pyridinecarboxylic acid, 2-ethoxy-5-nitro-
CAS No: 247582-60-1 Catalog No: AG002PCO MDL No:
Product Description
Catalog Number:
AG002PCO
Chemical Name:
3-Pyridinecarboxylic acid, 2-ethoxy-5-nitro-
CAS Number:
247582-60-1
Molecular Formula:
C8H8N2O5
Molecular Weight:
212.1595
IUPAC Name:
2-ethoxy-5-nitropyridine-3-carboxylic acid
InChI:
InChI=1S/C8H8N2O5/c1-2-15-7-6(8(11)12)3-5(4-9-7)10(13)14/h3-4H,2H2,1H3,(H,11,12)
InChI Key:
GLSREOLUIPGEMD-UHFFFAOYSA-N
SMILES:
CCOc1ncc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
252
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:
6
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:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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