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CAS 898794-86-0

:

2-[3-(2,5-dimethylphenyl)propanoyl]benzonitrile

Description:
2-[3-(2,5-Dimethylphenyl)propanoyl]benzonitrile, with the CAS number 898794-86-0, is an organic compound characterized by its complex structure that includes both a benzonitrile and a propanoyl moiety. This compound features a benzene ring substituted with a nitrile group, which contributes to its potential as a versatile building block in organic synthesis. The presence of the 2,5-dimethylphenyl group enhances its hydrophobic characteristics, influencing its solubility and reactivity. Typically, compounds of this nature may exhibit interesting biological activities, making them of interest in pharmaceutical research. The molecular structure suggests potential for interactions with various biological targets, and its synthesis may involve standard organic reactions such as acylation and nitrilation. As with many organic compounds, the physical properties such as melting point, boiling point, and solubility would depend on the specific conditions and purity of the substance. Safety data should be consulted for handling and storage, as with any chemical substance.
Formula:C18H17NO
InChI:InChI=1/C18H17NO/c1-13-7-8-14(2)15(11-13)9-10-18(20)17-6-4-3-5-16(17)12-19/h3-8,11H,9-10H2,1-2H3
SMILES:Cc1ccc(C)c(CCC(=O)c2ccccc2C#N)c1
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