3-acetylpyridine-2-carboxylic acid


Chemical Name: 3-acetylpyridine-2-carboxylic acid
CAS Number: 716362-04-8
Product Number: AG00FH07(AGN-PC-03X6YL)
Synonyms:
MDL No:
Molecular Formula: C8H7NO3
Molecular Weight: 165.1461

Identification/Properties


Computed Properties
Molecular Weight:
165.148g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
165.043g/mol
Monoisotopic Mass:
165.043g/mol
Topological Polar Surface Area:
67.3A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
203
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:
H317-H319
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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