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CAS 4743-57-1

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2-(3-Oxo-1(3H)-isobenzofuranylidene)acetic acid

Description:
2-(3-Oxo-1(3H)-isobenzofuranylidene)acetic acid, with the CAS number 4743-57-1, is an organic compound characterized by its unique structure that includes a fused isobenzofuran moiety and an acetic acid functional group. This compound typically exhibits properties associated with both aromatic and carboxylic acid functionalities, which can influence its reactivity and solubility. It may display moderate to high solubility in polar solvents due to the presence of the carboxylic acid group, while the aromatic system can contribute to its stability and potential for π-π stacking interactions. The keto group in the isobenzofuran structure can also participate in hydrogen bonding, affecting its chemical behavior. This compound may be of interest in various fields, including medicinal chemistry and materials science, due to its potential biological activity and utility in synthesizing other complex molecules. As with many organic compounds, its properties can vary based on environmental conditions such as temperature and pH.
Formula:C10H6O4
InChI:InChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)
InChI key:InChIKey=XKMGDVJBAWUUDZ-UHFFFAOYSA-N
SMILES:C(C(O)=O)=C1C=2C(C(=O)O1)=CC=CC2
Synonyms:
  • (2E)-(3-Oxo-2-benzofuran-1(3H)-ylidene)acetic acid
  • (3-Oxo-2-benzofuran-1(3H)-ylidene)acetic acid
  • 2-(3-Oxo-1(3H)-isobenzofuranylidene)acetic acid
  • 3-Carboxymethylenephthalide
  • 3-Oxo-Δ<sup>1,α</sup>-phthalanacetic acid
  • Acetic acid, (3-oxo-1(3H)-isobenzofuranylidene)-
  • Acetic acid, 2-(3-oxo-1(3H)-isobenzofuranylidene)-
  • NSC 17047
  • acetic acid, 2-(3-oxo-1(3H)-isobenzofuranylidene)-, (2E)-
  • Δ<sup>1,α</sup>-Phthalanacetic acid, 3-oxo-
  • See more synonyms
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