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CAS 6947-81-5

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4-(1-Methylethyl)-γ-oxobenzenebutanoic acid

Description:
4-(1-Methylethyl)-γ-oxobenzenebutanoic acid, also known by its CAS number 6947-81-5, is an organic compound characterized by its unique structure that includes a benzenebutanoic acid framework with a ketone functional group. This compound features a branched alkyl group, specifically isobutyl, which contributes to its hydrophobic characteristics. The presence of the γ-oxo group indicates that it has a carbonyl functional group adjacent to the carboxylic acid, which can influence its reactivity and solubility in various solvents. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical and biochemical research. The molecular interactions of this compound can be influenced by its stereochemistry and functional groups, potentially affecting its binding affinity in biological systems. Additionally, its stability and reactivity can be influenced by environmental factors such as pH and temperature. Overall, 4-(1-Methylethyl)-γ-oxobenzenebutanoic acid represents a class of compounds that may have diverse applications in organic synthesis and medicinal chemistry.
Formula:C13H16O3
InChI:InChI=1S/C13H16O3/c1-9(2)10-3-5-11(6-4-10)12(14)7-8-13(15)16/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChI key:InChIKey=CRTBQADLERFRSD-UHFFFAOYSA-N
SMILES:C(CCC(O)=O)(=O)C1=CC=C(C(C)C)C=C1
Synonyms:
  • 3-(4-Isopropylbenzoyl)propionic acid
  • 4-(1-Methylethyl)-gamma-oxobenzenebutanoic acid
  • 4-(1-Methylethyl)-γ-oxobenzenebutanoic acid
  • 4-(p-Isopropylphenyl)-4-oxobutyric acid
  • 4-Oxo-4-[4-(Propan-2-Yl)Phenyl]Butanoic Acid
  • Benzenebutanoic acid, 4-(1-methylethyl)-gamma-oxo-
  • Benzenebutanoic acid, 4-(1-methylethyl)-γ-oxo-
  • Brn 3032364
  • Cb 830
  • Nsc 56154
  • See more synonyms
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