Benzoic acid, 2-(3-pyridinyl)-


Chemical Name: Benzoic acid, 2-(3-pyridinyl)-
CAS Number: 134363-45-4
Product Number: AG007MC0(AGN-PC-0KKO01)
Synonyms:
MDL No:
Molecular Formula: C12H9NO2
Molecular Weight: 199.2054

Identification/Properties


Computed Properties
Molecular Weight:
199.209g/mol
XLogP3:
1.8
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:
230
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#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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