4-(4-cyanophenyl)pyridine-3-carboxylic acid


Chemical Name: 4-(4-cyanophenyl)pyridine-3-carboxylic acid
CAS Number: 1261943-53-6
Product Number: AG000S88(AGN-PC-09O29L)
Synonyms:
MDL No:
Molecular Formula: C13H8N2O2
Molecular Weight: 224.2148

Identification/Properties


Computed Properties
Molecular Weight:
224.219g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
224.059g/mol
Monoisotopic Mass:
224.059g/mol
Topological Polar Surface Area:
74A^2
Heavy Atom Count:
17
Formal Charge:
0
Complexity:
326
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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