3-Pyridinecarboxylic acid, 6-phenyl-


Chemical Name: 3-Pyridinecarboxylic acid, 6-phenyl-
CAS Number: 29051-44-3
Product Number: AG002X75(AGN-PC-0JLMPR)
Synonyms:
MDL No:
Molecular Formula: C12H9NO2
Molecular Weight: 199.2054

Identification/Properties


Computed Properties
Molecular Weight:
199.209g/mol
XLogP3:
2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
199.063g/mol
Monoisotopic Mass:
199.063g/mol
Topological Polar Surface Area:
50.2A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
224
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


Other Analytical Data


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