CAS 898785-05-2
:2-[(3-oxocyclohexyl)methyl]benzonitrile
Description:
2-[(3-Oxocyclohexyl)methyl]benzonitrile, identified by its CAS number 898785-05-2, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a cyclohexyl group with a ketone functional group. This compound typically exhibits properties common to aromatic nitriles, such as moderate solubility in organic solvents and potential reactivity due to the presence of the nitrile group. The ketone functionality in the cyclohexyl ring may influence its reactivity and stability, potentially allowing for various chemical transformations. Additionally, the presence of both aromatic and aliphatic components in its structure suggests that it may engage in diverse interactions, including hydrogen bonding and π-π stacking. Such characteristics make it of interest in fields like medicinal chemistry and materials science, where it could serve as a precursor or intermediate in the synthesis of more complex molecules. However, specific physical properties such as melting point, boiling point, and spectral data would require experimental determination or literature reference for precise values.
Formula:C14H15NO
InChI:InChI=1/C14H15NO/c15-10-13-6-2-1-5-12(13)8-11-4-3-7-14(16)9-11/h1-2,5-6,11H,3-4,7-9H2
SMILES:c1ccc(C#N)c(c1)CC1CCCC(=O)C1
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