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CAS 3096-76-2

:

1,3-Dihydro-3-oxo-2,1-benzisoxazole-4-carboxylic acid

Description:
1,3-Dihydro-3-oxo-2,1-benzisoxazole-4-carboxylic acid, with the CAS number 3096-76-2, is a heterocyclic organic compound characterized by its benzisoxazole structure, which incorporates both a carboxylic acid and a diketone functional group. This compound typically appears as a crystalline solid and is soluble in polar solvents, reflecting its polar functional groups. The presence of the benzisoxazole moiety contributes to its potential biological activity, making it of interest in medicinal chemistry and drug development. The compound may exhibit various chemical reactivities due to the presence of the carboxylic acid and the diketone, allowing for potential derivatization and synthesis of related compounds. Its unique structure may also impart specific optical properties, making it useful in applications such as fluorescence or as a dye. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper laboratory practices are followed.
Formula:C8H5NO4
InChI:InChI=1S/C8H5NO4/c10-7(11)4-2-1-3-5-6(4)8(12)13-9-5/h1-3,9H,(H,10,11)
InChI key:InChIKey=HJRQDIDWKHJPEV-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=C2C(=CC=C1)NOC2=O
Synonyms:
  • 2,1-Benzisoxazole-4-carboxylic acid, 1,3-dihydro-3-oxo-
  • 3-Oxo-1,3-dihydro-2,1-benzoxazole-4-carboxylic acid
  • 1,3-Dihydro-3-oxo-2,1-benzisoxazole-4-carboxylic acid
  • 2,1-Benzisoxazoline-4-carboxylic acid, 3-oxo-
  • 3-Oxo-1H-2,1-benzoxazole-4-carboxylic acid
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