3-Pyridinecarboxylic acid


Chemical Name: 3-Pyridinecarboxylic acid
CAS Number: 59-67-6
Product Number: AG00EZH4(AGN-PC-03GBGR)
Synonyms:
MDL No:
Molecular Formula: C6H5NO2
Molecular Weight: 123.1094

Identification/Properties


Computed Properties
Molecular Weight:
123.111g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
123.032g/mol
Monoisotopic Mass:
123.032g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
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:
H319-H402
Precautionary Statements:
P273-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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