Cyclohexanepropanenitrile, 2-oxo-


Chemical Name: Cyclohexanepropanenitrile, 2-oxo-
CAS Number: 4594-78-9
Product Number: AG003EZI(AGN-PC-0JM1RJ)
Synonyms:
MDL No:
Molecular Formula: C9H13NO
Molecular Weight: 151.2056

Identification/Properties


Properties
MP:
61-62℃
BP:
138-142°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Refractive Index:
n20/D 1.474
Computed Properties
Molecular Weight:
151.209g/mol
XLogP3:
1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
151.1g/mol
Monoisotopic Mass:
151.1g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
189
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
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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