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


Chemical Name: 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-
CAS Number: 20577-27-9
Product Number: AG002ACS(AGN-PC-0JT6QD)
Synonyms:
MDL No: MFCD00661865
Molecular Formula: C6H4N2O
Molecular Weight: 120.1088

Identification/Properties


Properties
MP:
233 °C
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Solubility:
Soluble in dimethyl sulfoxide.
Computed Properties
Molecular Weight:
120.111g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
120.032g/mol
Monoisotopic Mass:
120.032g/mol
Topological Polar Surface Area:
52.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
241
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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