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CAS 121625-80-7

:

4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid

Description:
4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid is a chemical compound characterized by its unique bicyclic structure, which includes a benzofuran moiety. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and multiple methyl groups that contribute to its hydrophobic characteristics. The presence of a carboxylic acid functional group suggests that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The ketone functionality (4-oxo) indicates potential reactivity, particularly in nucleophilic addition reactions. Its structural complexity may influence its biological activity, making it of interest in medicinal chemistry and organic synthesis. The compound's CAS number, 121625-80-7, allows for precise identification in chemical databases, facilitating research and application in various fields, including pharmaceuticals and agrochemicals. Overall, this compound's unique structure and functional groups suggest potential utility in diverse chemical applications.
Formula:C12H14O4
InChI:InChI=1S/C12H14O4/c1-6-9-7(13)4-12(2,3)5-8(9)16-10(6)11(14)15/h4-5H2,1-3H3,(H,14,15)
InChI key:InChIKey=AUDCUKXUYOTTBM-UHFFFAOYSA-N
SMILES:CC=1C2=C(OC1C(O)=O)CC(C)(C)CC2=O
Synonyms:
  • 4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-2-benzofurancarboxylic acid
  • 3,6,6-Trimethyl-4-oxo-5,7-dihydro-1-benzofuran-2-carboxylic acid
  • 2-Benzofurancarboxylic acid, 4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-
  • 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-benzofuran-2-carboxylic acid
  • 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1-benzofuran-2-carboxylic acid
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