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CAS 118431-90-6

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β-Oxocycloheptanepropanenitrile

Description:
β-Oxocycloheptanepropanenitrile, with the CAS number 118431-90-6, is a chemical compound characterized by its unique structure that includes a cycloheptane ring and a nitrile functional group. This compound features a ketone group (the oxo group) adjacent to the cycloheptane, which contributes to its reactivity and potential applications in organic synthesis. The presence of the nitrile group indicates that it can participate in various chemical reactions, such as nucleophilic additions and cycloadditions, making it a valuable intermediate in the synthesis of more complex molecules. β-Oxocycloheptanepropanenitrile is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. Its physical properties, such as boiling point, melting point, and solubility, can vary based on the specific conditions and the presence of other functional groups. Overall, this compound is of interest in the fields of organic chemistry and medicinal chemistry for its potential utility in developing new pharmaceuticals and agrochemicals.
Formula:C10H15NO
InChI:InChI=1S/C10H15NO/c11-8-7-10(12)9-5-3-1-2-4-6-9/h9H,1-7H2
InChI key:InChIKey=AXHBJNOMNSDGIN-UHFFFAOYSA-N
SMILES:C(CC#N)(=O)C1CCCCCC1
Synonyms:
  • Cycloheptanepropanenitrile, β-oxo-
  • 3-Cycloheptyl-3-oxopropanenitrile
  • β-Oxocycloheptanepropanenitrile
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