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


Chemical Name: 3-Pyridinecarboxylic acid, 5-methyl-, methyl ester
CAS Number: 29681-45-6
Product Number: AG002Z3F(AGN-PC-0JNTDK)
Synonyms:
MDL No: MFCD01075739
Molecular Formula: C8H9NO2
Molecular Weight: 151.1626

Identification/Properties


Properties
MP:
46-48°C
BP:
228.5°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
Soluble in Chloroform and Methanol.
Computed Properties
Molecular Weight:
151.165g/mol
XLogP3:
1.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
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:
147
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


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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