3-oxo-3-pyridin-4-ylpropanenitrile


Chemical Name: 3-oxo-3-pyridin-4-ylpropanenitrile
CAS Number: 23821-37-6
Product Number: AG007N1Q(AGN-PC-0NKT75)
Synonyms:
MDL No:
Molecular Formula: C8H6N2O
Molecular Weight: 146.1460

Identification/Properties


Computed Properties
Molecular Weight:
146.149g/mol
XLogP3:
0.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
146.048g/mol
Monoisotopic Mass:
146.048g/mol
Topological Polar Surface Area:
53.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
186
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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