3-Pyridinecarboxylic acid, ethyl ester


Chemical Name: 3-Pyridinecarboxylic acid, ethyl ester
CAS Number: 614-18-6
Product Number: AG003QG2(AGN-PC-068A5D)
Synonyms:
MDL No:
Molecular Formula: C8H9NO2
Molecular Weight: 151.1626

Identification/Properties


Properties
MP:
8-10 °C(lit.)
BP:
224°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Liquid
Refractive Index:
n20/D 1.504(lit.)
Solubility:
50g/l
Computed Properties
Molecular Weight:
151.165g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
3
Exact Mass:
151.063g/mol
Monoisotopic Mass:
151.063g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
136
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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