CAS 870245-85-5

3-(2-Carboxyethynyl)benzoic acid

Description:

3-(2-Carboxyethynyl)benzoic acid is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety and an ethynyl group with a carboxylic acid functional group. This compound features a carboxylic acid (-COOH) group that contributes to its acidity and solubility in polar solvents. The presence of the ethynyl group introduces a triple bond, which can participate in various chemical reactions, making it a versatile building block in organic synthesis. The compound is likely to exhibit properties typical of carboxylic acids, such as forming hydrogen bonds and participating in acid-base reactions. Its structure suggests potential applications in materials science, pharmaceuticals, or as a ligand in coordination chemistry due to the presence of multiple functional groups. Additionally, the compound's unique structure may impart specific optical or electronic properties, making it of interest in research and development within the fields of organic chemistry and materials science.

Formula: C₁₀H₆O₄

InChI: InChI=1S/C10H6O4/c11-9(12)5-4-7-2-1-3-8(6-7)10(13)14/h1-3,6H,(H,11,12)(H,13,14)

InChI key: InChIKey=VFYNYEJZJHKGLT-UHFFFAOYSA-N

SMILES: C(#CC(O)=O)C1=CC(C(O)=O)=CC=C1

Synonyms:

• 3-(2-Carboxyethynyl)benzoic acid
• 3-(Carboxyethynyl)benzoic acid
• Benzoic acid, 3-(carboxyethynyl)-
• Benzoic acid, 3-(2-carboxyethynyl)-