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CAS 6802-76-2

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Acetic acid, 2-cyano-2-cyclohexylidene-, ethyl ester

Description:
Acetic acid, 2-cyano-2-cyclohexylidene-, ethyl ester, with the CAS number 6802-76-2, is an organic compound characterized by its ester functional group and the presence of a cyano group. This compound typically appears as a colorless to pale yellow liquid and is known for its distinctive fruity odor. It is soluble in organic solvents and exhibits moderate polarity due to the presence of both the ester and cyano functionalities. The compound is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals and agrochemicals. Its reactivity is influenced by the cyano group, which can participate in nucleophilic addition reactions, while the ester group can undergo hydrolysis under acidic or basic conditions. Safety precautions should be observed when handling this substance, as it may pose health risks if inhaled or ingested. Overall, its unique structural features contribute to its utility in chemical synthesis and research applications.
Formula:C11H15NO2
InChI:InChI=1S/C11H15NO2/c1-2-14-11(13)10(8-12)9-6-4-3-5-7-9/h2-7H2,1H3
InChI key:InChIKey=PZAJJZJKRVXKCS-UHFFFAOYSA-N
SMILES:C(C(OCC)=O)(C#N)=C1CCCCC1
Synonyms:
  • Acetic acid, 2-cyano-2-cyclohexylidene-, ethyl ester
  • Ethyl cyanocyclohexylideneacetate
  • NSC 10726
  • Acetic acid, cyanocyclohexylidene-, ethyl ester
  • Δ1,α-Cyclohexaneacetic acid, α-cyano-, ethyl ester
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