3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-
CAS Number: 43083-13-2
Product Number: AG00D9UL(AGN-PC-0JNW22)
Synonyms:
MDL No:
Molecular Formula: C12H8N2O
Molecular Weight: 196.2047

Identification/Properties


Properties
BP:
437°C at 760 mmHg
Computed Properties
Molecular Weight:
196.209g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
196.064g/mol
Monoisotopic Mass:
196.064g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
378
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
Precautionary Statements:
P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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