3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4,6-dimethyl-2-oxo-
CAS Number: 769-28-8
Product Number: AG003JBX(AGN-PC-0JL9B3)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O
Molecular Weight: 148.1619

Identification/Properties


Properties
MP:
285-287 °C(lit.)
BP:
335.6 °C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Refractive Index:
1.6000 (estimate)
Computed Properties
Molecular Weight:
148.165g/mol
XLogP3:
0.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
148.064g/mol
Monoisotopic Mass:
148.064g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
314
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


NMR Spectrum


Other Analytical Data


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