3-Pyridinecarboxylic acid, 5-cyano-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 5-cyano-, methyl ester
CAS Number: 106726-82-3
Product Number: AG003RXP(AGN-PC-00NBUY)
Synonyms:
MDL No: MFCD07367902
Molecular Formula: C8H6N2O2
Molecular Weight: 162.1454

Identification/Properties


Properties
BP:
269.2°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Computed Properties
Molecular Weight:
162.148g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
162.043g/mol
Monoisotopic Mass:
162.043g/mol
Topological Polar Surface Area:
63A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
218
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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