CAS 736136-66-6

trans-4-[2-(3-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid

Description:

Trans-4-[2-(3-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid is a chemical compound characterized by its unique structural features, including a cyclohexane ring and a carboxylic acid functional group. The presence of a nitrophenyl group introduces significant polarity and potential for hydrogen bonding, which can influence its solubility and reactivity. This compound typically exhibits a solid state at room temperature and may have specific melting and boiling points that are characteristic of its molecular structure. The nitro group is known for its electron-withdrawing properties, which can affect the acidity of the carboxylic acid group and the overall reactivity of the molecule. Additionally, the trans configuration of the substituents around the cyclohexane ring can impact the compound's three-dimensional shape, influencing its interactions with biological systems or other chemical entities. Overall, this compound may have applications in medicinal chemistry or materials science, depending on its specific properties and reactivity.

Formula: C₁₅H₁₇NO₅

InChI: InChI=1/C15H17NO5/c17-14(12-2-1-3-13(9-12)16(20)21)8-10-4-6-11(7-5-10)15(18)19/h1-3,9-11H,4-8H2,(H,18,19)/t10-,11-

InChI key: InChIKey=JJUCIUPTTHLMTM-XYPYZODXNA-N

SMILES: C(C[C@H]1CC[C@H](C(O)=O)CC1)(=O)C2=CC(N(=O)=O)=CC=C2

Synonyms:

• Cyclohexanecarboxylic acid, 4-[2-(3-nitrophenyl)-2-oxoethyl]-, trans-
• trans-4-[2-(3-Nitrophenyl)-2-oxoethyl]cyclohexanecarboxylic acid