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CAS 898765-39-4

:

3-Methyl-ζ-oxobenzeneheptanoic acid

Description:
3-Methyl-ζ-oxobenzeneheptanoic acid, identified by its CAS number 898765-39-4, is an organic compound characterized by its unique structure that includes a heptanoic acid backbone with a methyl group and a ketone functional group adjacent to a benzene ring. This compound typically exhibits properties associated with both fatty acids and aromatic compounds, such as moderate solubility in organic solvents and potential reactivity due to the presence of the carboxylic acid group. The presence of the aromatic ring contributes to its stability and may influence its reactivity and interactions with other molecules. Additionally, the methyl group can affect the compound's steric hindrance and overall molecular geometry. While specific physical properties like melting point, boiling point, and solubility can vary, compounds of this nature often find applications in organic synthesis, pharmaceuticals, or as intermediates in various chemical processes. Further studies would be necessary to fully elucidate its behavior in different chemical environments and potential applications.
Formula:C14H18O3
InChI:InChI=1S/C14H18O3/c1-11-6-5-7-12(10-11)13(15)8-3-2-4-9-14(16)17/h5-7,10H,2-4,8-9H2,1H3,(H,16,17)
InChI key:InChIKey=SLFHIHVSMDFRPB-UHFFFAOYSA-N
SMILES:C(CCCCCC(O)=O)(=O)C1=CC(C)=CC=C1
Synonyms:
  • 3-Methyl-ζ-oxobenzeneheptanoic acid
  • Benzeneheptanoic acid, 3-methyl-ζ-oxo-
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