Pentanenitrile, 3-oxo-


Chemical Name: Pentanenitrile, 3-oxo-
CAS Number: 33279-01-5
Product Number: AG003JUQ(AGN-PC-0MVP3N)
Synonyms:
MDL No: MFCD07367087
Molecular Formula: C5H7NO
Molecular Weight: 97.1152

Identification/Properties


Properties
BP:
146.091°C at 760 mmHg
Storage:
Inert atmosphere;-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
97.117g/mol
XLogP3:
0.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
97.053g/mol
Monoisotopic Mass:
97.053g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
109
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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