CAS 898791-79-2
:ζ-Oxo-4-propoxybenzeneheptanoic acid
Description:
ζ-Oxo-4-propoxybenzeneheptanoic acid, identified by its CAS number 898791-79-2, is a chemical compound that features a complex structure characterized by a benzene ring substituted with a propoxy group and a heptanoic acid moiety. This compound likely exhibits both hydrophobic and hydrophilic properties due to the presence of the long aliphatic chain and the carboxylic acid functional group. The oxo group introduces a carbonyl functionality, which can influence the compound's reactivity and potential interactions with other molecules. Such compounds may be of interest in various fields, including pharmaceuticals, where they could serve as intermediates or active ingredients due to their potential biological activity. The presence of the propoxy group may enhance solubility in organic solvents, while the heptanoic acid portion could contribute to the compound's overall lipophilicity. As with many organic compounds, the specific characteristics, such as melting point, boiling point, and solubility, would need to be determined experimentally or sourced from reliable databases for practical applications.
Formula:C16H22O4
InChI:InChI=1S/C16H22O4/c1-2-12-20-14-10-8-13(9-11-14)15(17)6-4-3-5-7-16(18)19/h8-11H,2-7,12H2,1H3,(H,18,19)
InChI key:InChIKey=YBSQQRIJBUICJE-UHFFFAOYSA-N
SMILES:C(CCCCCC(O)=O)(=O)C1=CC=C(OCCC)C=C1
Synonyms:- ζ-Oxo-4-propoxybenzeneheptanoic acid
- Benzeneheptanoic acid, ζ-oxo-4-propoxy-
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