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CAS 129689-88-9

:

4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indole-2-carboxylic acid

Description:
4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indole-2-carboxylic acid is a chemical compound characterized by its indole structure, which is a bicyclic compound consisting of a benzene ring fused to a pyrrole ring. This specific compound features a tetrahydro configuration, indicating the presence of four hydrogen atoms that saturate the rings, contributing to its stability and reactivity. The presence of a carboxylic acid functional group (-COOH) suggests that it can participate in acid-base reactions and may exhibit solubility in polar solvents. The trimethyl groups indicate that there are three methyl substituents on the indole structure, which can influence its steric and electronic properties, potentially affecting its biological activity. The ketone group (4-oxo) adds to its reactivity, allowing for various chemical transformations. Overall, this compound may have applications in pharmaceuticals or organic synthesis, although specific biological activities or uses would require further investigation.
Formula:C12H15NO3
InChI:InChI=1S/C12H15NO3/c1-6-9-7(13-10(6)11(15)16)4-12(2,3)5-8(9)14/h13H,4-5H2,1-3H3,(H,15,16)
InChI key:InChIKey=CJGCOACZBXRIAE-UHFFFAOYSA-N
SMILES:CC=1C2=C(NC1C(O)=O)CC(C)(C)CC2=O
Synonyms:
  • 1H-Indole-2-carboxylic acid, 4,5,6,7-tetrahydro-3,6,6-trimethyl-4-oxo-
  • 2-Indolecarboxylic acid, 4,5,6,7-tetrahydro-4-keto-3,6,6-trimethyl-
  • 3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylate
  • 4,5,6,7-Tetrahydro-3,6,6-trimethyl-4-oxo-1H-indole-2-carboxylic acid
  • 3,6,6-Trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indole-2-carboxylic acid
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