CAS 871127-76-3

ζ-Oxo-3-phenoxybenzeneheptanoic acid

Description:

ζ-Oxo-3-phenoxybenzeneheptanoic acid, identified by its CAS number 871127-76-3, is a chemical compound that features a phenoxy group attached to a heptanoic acid backbone. This compound is characterized by the presence of a ketone functional group (the "ζ-oxo" designation) and a phenoxy substituent, which can influence its reactivity and solubility. The structure suggests that it may exhibit both hydrophilic and hydrophobic properties, making it potentially useful in various applications, including pharmaceuticals and agrochemicals. The phenoxy group can enhance biological activity, while the heptanoic acid chain may contribute to its lipophilicity. As with many organic compounds, its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the environment in which it is studied. Additionally, the compound's behavior in biological systems would be of interest, particularly in relation to its potential therapeutic effects or environmental impact.

Formula: C₁₉H₂₀O₄

InChI: InChI=1S/C19H20O4/c20-18(12-5-2-6-13-19(21)22)15-8-7-11-17(14-15)23-16-9-3-1-4-10-16/h1,3-4,7-11,14H,2,5-6,12-13H2,(H,21,22)

InChI key: InChIKey=SYFGSXSIMQIKII-UHFFFAOYSA-N

SMILES: O(C1=CC(C(CCCCCC(O)=O)=O)=CC=C1)C2=CC=CC=C2

Synonyms:

• Benzeneheptanoic acid, ζ-oxo-3-phenoxy-
• ζ-Oxo-3-phenoxybenzeneheptanoic acid
• 7-Oxo-7-(3-phenoxyphenyl)heptanoic acid