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CAS 74248-66-1

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4-(3-Oxobutyl)benzoic acid

Description:
4-(3-Oxobutyl)benzoic acid, identified by its CAS number 74248-66-1, is an organic compound characterized by a benzoic acid structure with a 3-oxobutyl substituent at the para position. This compound features a carboxylic acid functional group (-COOH), which imparts acidic properties, making it soluble in polar solvents like water and alcohols. The presence of the 3-oxobutyl group introduces a ketone functionality, contributing to its reactivity and potential applications in organic synthesis. The molecular structure suggests that it may exhibit both hydrophilic and hydrophobic characteristics, influencing its behavior in various chemical environments. Additionally, the compound may participate in hydrogen bonding due to the carboxylic acid group, affecting its melting and boiling points. Its unique structure could make it useful in the development of pharmaceuticals, agrochemicals, or as an intermediate in organic reactions. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical data for precise characterization.
Formula:C11H12O3
InChI:InChI=1S/C11H12O3/c1-8(12)2-3-9-4-6-10(7-5-9)11(13)14/h4-7H,2-3H2,1H3,(H,13,14)
InChI key:InChIKey=PJLBHTNCHZROBQ-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=CC=C(CCC(C)=O)C=C1
Synonyms:
  • Benzoic acid, 4-(3-oxobutyl)-
  • 4-(3-Oxobutyl)benzoic acid
  • 4-(4-Carboxyphenyl)-2-butanone
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