4-Pyridinecarboxylic acid, 3-methyl-


Chemical Name: 4-Pyridinecarboxylic acid, 3-methyl-
CAS Number: 4021-12-9
Product Number: AG003949(AGN-PC-0K63VF)
Synonyms:
MDL No:
Molecular Formula: C7H7NO2
Molecular Weight: 137.1360

Identification/Properties


Computed Properties
Molecular Weight:
137.138g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
137.048g/mol
Monoisotopic Mass:
137.048g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
136
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

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NMR Spectrum


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