3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, methyl ester


Chemical Name: 3-Pyridinecarboxylic acid, 1,6-dihydro-1-methyl-6-oxo-, methyl ester
CAS Number: 6375-89-9
Product Number: AG003559(AGN-PC-0JTJ15)
Synonyms:
MDL No:
Molecular Formula: C8H9NO3
Molecular Weight: 167.1620

Identification/Properties


Properties
MP:
138.3-139.2℃(Solv: water (7732-18-5))
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
167.164g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
167.058g/mol
Monoisotopic Mass:
167.058g/mol
Topological Polar Surface Area:
46.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
278
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:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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