3-Pyridinecarboxylic acid, butyl ester


Chemical Name: 3-Pyridinecarboxylic acid, butyl ester
CAS Number: 6938-06-3
Product Number: AG003SUW(AGN-PC-0JLT6V)
Synonyms:
MDL No:
Molecular Formula: C10H13NO2
Molecular Weight: 179.2157

Identification/Properties


Properties
MP:
252 °C
BP:
252 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
n20/D 1.495(lit.)
Computed Properties
Molecular Weight:
179.219g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
179.095g/mol
Monoisotopic Mass:
179.095g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
159
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#:
-
Hazard Statements:
H315-H319
Precautionary Statements:
P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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