Propanenitrile, 2-oxo-


Chemical Name: Propanenitrile, 2-oxo-
CAS Number: 631-57-2
Product Number: AG003U39(AGN-PC-0JL90Q)
Synonyms:
MDL No:
Molecular Formula: C3H3NO
Molecular Weight: 69.0620

Identification/Properties


Properties
BP:
92.3°C
Storage:
2-8℃;Inert atmosphere;
Form:
Liquid
Refractive Index:
n20/D 1.376(lit.)
Solubility:
Soluble in ether and acetonitrile.
Computed Properties
Molecular Weight:
69.063g/mol
XLogP3:
-0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
69.021g/mol
Monoisotopic Mass:
69.021g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
5
Formal Charge:
0
Complexity:
86.3
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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