CAS 898766-07-9

ζ-Oxo-9-phenanthreneheptanoic acid

Description:

ζ-Oxo-9-phenanthreneheptanoic acid, identified by its CAS number 898766-07-9, is a chemical compound that features a phenanthrene moiety, which is a polycyclic aromatic hydrocarbon, combined with a heptanoic acid chain. This compound typically exhibits characteristics associated with both aromatic and aliphatic structures, including potential hydrophobicity due to the phenanthrene ring and the presence of a carboxylic acid functional group that can engage in hydrogen bonding. The oxo group introduces a carbonyl functionality, which can influence the compound's reactivity and solubility. Such compounds may be of interest in various fields, including organic synthesis, materials science, and medicinal chemistry, due to their unique structural properties. The presence of multiple functional groups suggests potential applications in drug development or as intermediates in chemical synthesis. However, specific physical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.

Formula: C₂₁H₂₀O₃

InChI: InChI=1S/C21H20O3/c22-20(12-2-1-3-13-21(23)24)19-14-15-8-4-5-9-16(15)17-10-6-7-11-18(17)19/h4-11,14H,1-3,12-13H2,(H,23,24)

InChI key: InChIKey=VBWYJGUMLKCFCY-UHFFFAOYSA-N

SMILES: C(CCCCCC(O)=O)(=O)C1=C2C(=C3C(=C1)C=CC=C3)C=CC=C2

Synonyms:

• ζ-Oxo-9-phenanthreneheptanoic acid
• 9-Phenanthreneheptanoic acid, ζ-oxo-