3-Pyridinecarboxylic acid, hexyl ester


Chemical Name: 3-Pyridinecarboxylic acid, hexyl ester
CAS Number: 23597-82-2
Product Number: AG002NTH(AGN-PC-0JLYI4)
Synonyms:
MDL No:
Molecular Formula: C12H17NO2
Molecular Weight: 207.2689

Identification/Properties


Properties
BP:
329.1°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Liquid
Refractive Index:
1.4880 to 1.4920
Computed Properties
Molecular Weight:
207.273g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
7
Exact Mass:
207.126g/mol
Monoisotopic Mass:
207.126g/mol
Topological Polar Surface Area:
39.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
183
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:
P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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