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CAS 832737-91-4

:

4,5,6,7-Tetrahydro-5-methyl-1,2-benzisoxazole-3-carboxylic acid

Description:
4,5,6,7-Tetrahydro-5-methyl-1,2-benzisoxazole-3-carboxylic acid is a chemical compound characterized by its bicyclic structure, which includes a benzene ring fused to an isoxazole moiety. This compound features a tetrahydro configuration, indicating the presence of a saturated ring system, and a carboxylic acid functional group, which contributes to its acidity and potential reactivity. The methyl group at the 5-position of the isoxazole ring influences its steric and electronic properties, potentially affecting its biological activity. This compound may exhibit various pharmacological properties, making it of interest in medicinal chemistry. Its solubility, stability, and reactivity can be influenced by the presence of the carboxylic acid group, which can participate in hydrogen bonding and ionic interactions. The CAS number 832737-91-4 uniquely identifies this substance in chemical databases, facilitating its study and application in research and industry. Overall, this compound's structural features suggest potential utility in drug development and other chemical applications.
Formula:C9H11NO3
InChI:InChI=1S/C9H11NO3/c1-5-2-3-7-6(4-5)8(9(11)12)10-13-7/h5H,2-4H2,1H3,(H,11,12)
InChI key:InChIKey=JEQXRRWEGDTRIC-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C2=C(ON1)CCC(C)C2
Synonyms:
  • 4,5,6,7-Tetrahydro-5-methyl-1,2-benzisoxazole-3-carboxylic acid
  • 5-Methyl-4,5,6,7-tetrahydrobenzisoxazole-3-carboxylic acid
  • 5-Methyl-4,5,6,7-tetrahydrobenzo[d]isoxazole-3-carboxylic acid
  • 1,2-Benzisoxazole-3-carboxylic acid, 4,5,6,7-tetrahydro-5-methyl-
  • 5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxylic acid
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