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CAS 898756-80-4

:

4-[5-(5,5-dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile

Description:
4-[5-(5,5-Dimethyl-1,3-dioxan-2-yl)pentanoyl]benzonitrile, with the CAS number 898756-80-4, is a synthetic organic compound characterized by its complex structure, which includes a benzonitrile moiety and a dioxane ring. The presence of the dioxane ring suggests that the compound may exhibit unique solubility and stability properties, potentially making it useful in various chemical applications. The compound features a pentanoyl group, which can influence its reactivity and interactions with biological systems. Additionally, the presence of the nitrile functional group indicates potential for participation in nucleophilic reactions and may contribute to the compound's overall polarity. Its molecular structure suggests that it could be of interest in medicinal chemistry, particularly in the development of pharmaceuticals or agrochemicals. However, specific physical properties such as melting point, boiling point, and solubility would need to be determined experimentally or sourced from reliable databases for a comprehensive understanding of its characteristics.
Formula:C18H23NO3
InChI:InChI=1/C18H23NO3/c1-18(2)12-21-17(22-13-18)6-4-3-5-16(20)15-9-7-14(11-19)8-10-15/h7-10,17H,3-6,12-13H2,1-2H3
SMILES:CC1(C)COC(CCCCC(=O)c2ccc(cc2)C#N)OC1
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