CAS 951891-91-1

3,4,5-Trimethoxy-η-oxobenzeneoctanoic acid

Description:

3,4,5-Trimethoxy-η-oxobenzeneoctanoic acid, identified by its CAS number 951891-91-1, is a chemical compound characterized by its unique structure that includes a benzene ring substituted with three methoxy groups and an octanoic acid moiety. The presence of the methoxy groups enhances its solubility in organic solvents and may influence its biological activity. The η-oxo functional group suggests the presence of a ketone or similar functionality, which can play a significant role in the compound's reactivity and interactions. This compound may exhibit properties typical of both aromatic and aliphatic acids, potentially making it useful in various applications, including pharmaceuticals, agrochemicals, or as a biochemical probe. Its specific characteristics, such as melting point, boiling point, and spectral data, would require empirical determination or literature reference for precise values. Overall, the structural features of 3,4,5-Trimethoxy-η-oxobenzeneoctanoic acid suggest a compound of interest for further study in chemical and biological contexts.

Formula: C₁₇H₂₄O₆

InChI: InChI=1S/C17H24O6/c1-21-14-10-12(11-15(22-2)17(14)23-3)13(18)8-6-4-5-7-9-16(19)20/h10-11H,4-9H2,1-3H3,(H,19,20)

InChI key: InChIKey=ZJHDEKYFQGLVDJ-UHFFFAOYSA-N

SMILES: O(C)C1=C(OC)C=C(C(CCCCCCC(O)=O)=O)C=C1OC

Synonyms:

• Benzeneoctanoic acid, 3,4,5-trimethoxy-η-oxo-
• 3,4,5-Trimethoxy-η-oxobenzeneoctanoic acid