Cyclohexanecarbonitrile, 3-oxo-


Chemical Name: Cyclohexanecarbonitrile, 3-oxo-
CAS Number: 17983-30-1
Product Number: AG0027AS(AGN-PC-04T5YU)
Synonyms:
MDL No:
Molecular Formula: C7H9NO
Molecular Weight: 123.1525

Identification/Properties


Computed Properties
Molecular Weight:
123.155g/mol
XLogP3:
0.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
123.068g/mol
Monoisotopic Mass:
123.068g/mol
Topological Polar Surface Area:
40.9A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
165
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H301-H315-H319-H335
Precautionary Statements:
P261-P301+P310-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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