CAS 1016880-52-6

3-[(2-Cyanophenoxy)methyl]benzoic acid

Description:

3-[(2-Cyanophenoxy)methyl]benzoic acid, identified by its CAS number 1016880-52-6, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety and a cyanophenoxy group. This compound features a cyanophenyl group attached via an ether linkage to a methylene bridge, which is further connected to the benzoic acid. The presence of the cyanide functional group imparts unique electronic properties, potentially enhancing its reactivity and solubility in various solvents. The carboxylic acid functional group contributes to its acidity and ability to form hydrogen bonds, influencing its interactions in biological and chemical systems. This compound may exhibit interesting properties such as fluorescence or specific binding affinities, making it of interest in fields like medicinal chemistry or materials science. Its synthesis and application could be relevant in developing pharmaceuticals or as intermediates in organic synthesis. However, detailed studies on its biological activity and environmental impact would be necessary to fully understand its potential uses and safety profile.

Formula: C₁₅H₁₁NO₃

InChI: InChI=1S/C15H11NO3/c16-9-13-5-1-2-7-14(13)19-10-11-4-3-6-12(8-11)15(17)18/h1-8H,10H2,(H,17,18)

InChI key: InChIKey=AWUHBXMUGLGASF-UHFFFAOYSA-N

SMILES: O(CC1=CC(C(O)=O)=CC=C1)C2=C(C#N)C=CC=C2

Synonyms:

• 3-[(2-Cyanophenoxy)methyl]benzoic acid
• Benzoic acid, 3-[(2-cyanophenoxy)methyl]-

3-(2-Cyanophenoxymethyl)benzoic acid

CAS: 1016880-52-6

Versatile small molecule scaffold

Formula: C₁₅H₁₁NO₃

Purity: Min. 95%

Molecular weight: 253.25 g/mol

Ref: 3D-RQB88052