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CAS 951889-86-4

:

5-Chloro-2-methoxy-η-oxobenzeneoctanoic acid

Description:
5-Chloro-2-methoxy-η-oxobenzeneoctanoic acid, with the CAS number 951889-86-4, is a chemical compound that features a complex structure characterized by the presence of a chloro group, a methoxy group, and an octanoic acid moiety. This compound is likely to exhibit both hydrophilic and hydrophobic characteristics due to the presence of polar functional groups (like the methoxy and carboxylic acid) and a long hydrocarbon chain from the octanoic acid. The chloro substituent may influence its reactivity and biological activity, potentially making it useful in various applications, including pharmaceuticals or agrochemicals. The presence of the oxobenzene structure suggests that it may participate in π-π stacking interactions, which could affect its solubility and interaction with biological targets. Additionally, the compound's stability, solubility, and reactivity would depend on environmental conditions such as pH and temperature. Overall, this compound's unique structural features may contribute to its potential utility in diverse chemical and biological contexts.
Formula:C15H19ClO4
InChI:InChI=1S/C15H19ClO4/c1-20-14-9-8-11(16)10-12(14)13(17)6-4-2-3-5-7-15(18)19/h8-10H,2-7H2,1H3,(H,18,19)
InChI key:InChIKey=QIKDBHLQXHZSIZ-UHFFFAOYSA-N
SMILES:C(CCCCCCC(O)=O)(=O)C1=C(OC)C=CC(Cl)=C1
Synonyms:
  • Benzeneoctanoic acid, 5-chloro-2-methoxy-η-oxo-
  • 5-Chloro-2-methoxy-η-oxobenzeneoctanoic acid
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