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CAS 898785-01-8

:

3-[(3-oxocyclohexyl)methyl]benzonitrile

Description:
3-[(3-Oxocyclohexyl)methyl]benzonitrile, identified by its CAS number 898785-01-8, is an organic compound characterized by its structural features, which include a benzonitrile moiety and a cyclohexyl group with a ketone functional group. This compound typically exhibits a solid state at room temperature and is likely to be soluble in organic solvents due to its hydrophobic characteristics. The presence of the nitrile group (-C≡N) suggests potential reactivity, particularly in nucleophilic addition reactions, while the ketone group may participate in various chemical transformations, including condensation and reduction reactions. The compound's molecular structure indicates potential applications in medicinal chemistry, particularly in the development of pharmaceuticals, due to the presence of functional groups that can interact with biological targets. Additionally, its unique combination of cyclic and aromatic components may contribute to interesting physical properties, such as melting point and boiling point, which are essential for its handling and application in various chemical processes.
Formula:C14H15NO
InChI:InChI=1/C14H15NO/c15-10-13-5-1-3-11(8-13)7-12-4-2-6-14(16)9-12/h1,3,5,8,12H,2,4,6-7,9H2
SMILES:c1cc(CC2CCCC(=O)C2)cc(c1)C#N
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