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CAS 96220-14-3

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β-Oxo-1,3-benzodioxole-5-propanenitrile

Description:
β-Oxo-1,3-benzodioxole-5-propanenitrile, with the CAS number 96220-14-3, is a chemical compound characterized by its unique structural features, which include a benzodioxole moiety and a propanenitrile functional group. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and stability. The presence of the nitrile group suggests that it may participate in nucleophilic addition reactions, while the benzodioxole structure can influence its electronic properties and solubility in various solvents. β-Oxo-1,3-benzodioxole-5-propanenitrile may also display biological activity, making it of interest in medicinal chemistry and drug development. Its synthesis often involves multi-step organic reactions, and it may serve as an intermediate in the production of more complex molecules. As with many organic compounds, safety data should be consulted to understand its handling and potential hazards. Overall, this compound represents a fascinating intersection of organic chemistry and potential applications in various fields.
Formula:C10H7NO3
InChI:InChI=1S/C10H7NO3/c11-4-3-8(12)7-1-2-9-10(5-7)14-6-13-9/h1-2,5H,3,6H2
InChI key:InChIKey=WSZFLWZOMWQGPD-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C=1C=C2C(=CC1)OCO2
Synonyms:
  • 1,3-Benzodioxole-5-Propanenitrile, Β-Oxo-
  • 3-(1,3-Dioxaindan-5-yl)-3-oxopropanenitrile
  • 3-(Benzo[d][1,3]dioxol-5-yl)-3-oxopropanenitrile
  • 3-Benzo[1,3]dioxol-5-yl-3-oxopropionitrile
  • Acetonitrile, piperonyloyl-
  • β-Oxo-1,3-benzodioxole-5-propanenitrile
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