CAS 736136-08-6

trans-4-(3-Cyanobenzoyl)cyclohexanecarboxylic acid

Description:

Trans-4-(3-Cyanobenzoyl)cyclohexanecarboxylic acid is an organic compound characterized by its cyclohexane ring structure, which is substituted with a carboxylic acid group and a cyanobenzoyl moiety. The trans configuration indicates that the substituents on the cyclohexane are positioned opposite each other, influencing the compound's spatial arrangement and potentially its reactivity. The presence of the cyanobenzoyl group introduces both aromatic characteristics and a nitrile functional group, which can enhance the compound's polarity and solubility in polar solvents. This compound may exhibit interesting properties such as potential biological activity, making it of interest in pharmaceutical research. Additionally, the carboxylic acid group can participate in hydrogen bonding, affecting its interactions in various chemical environments. Overall, trans-4-(3-Cyanobenzoyl)cyclohexanecarboxylic acid is a complex molecule with unique structural features that may contribute to its chemical behavior and applications in organic synthesis or medicinal chemistry.

Formula: C₁₅H₁₅NO₃

InChI: InChI=1/C15H15NO3/c16-9-10-2-1-3-13(8-10)14(17)11-4-6-12(7-5-11)15(18)19/h1-3,8,11-12H,4-7H2,(H,18,19)/t11-,12-

InChI key: InChIKey=RWENHPGTHKRHSD-HAQNSBGRNA-N

SMILES: C(=O)(C1=CC(C#N)=CC=C1)[C@H]2CC[C@H](C(O)=O)CC2

Synonyms:

• trans-4-(3-Cyanobenzoyl)cyclohexanecarboxylic acid
• Cyclohexanecarboxylic acid, 4-(3-cyanobenzoyl)-, trans-