3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-4-methyl-2-oxo-
CAS Number: 93271-59-1
Product Number: AG003JC0(AGN-PC-0N7FEH)
Synonyms:
MDL No: MFCD00716620
Molecular Formula: C7H6N2O
Molecular Weight: 134.1353

Identification/Properties


Properties
MP:
230-232°C
BP:
337.7°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
134.138g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
134.048g/mol
Monoisotopic Mass:
134.048g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
277
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-H315-H319-H332-H335
Precautionary Statements:
P280-P305+P351+P338-P310
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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