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CAS 99839-17-5

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3-Cyano-3-methylbutanoic acid

Description:
3-Cyano-3-methylbutanoic acid is an organic compound characterized by its carboxylic acid functional group and a cyano group attached to a branched carbon chain. It features a five-carbon backbone with a methyl group and a cyano group located at the third carbon, contributing to its unique properties. This compound is typically a colorless to pale yellow solid or liquid, depending on its purity and form. It is soluble in polar solvents like water and alcohols, which is common for carboxylic acids. The presence of both the cyano and carboxylic acid groups makes it a versatile intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Additionally, its reactivity can be attributed to the electron-withdrawing nature of the cyano group, which can influence the acidity and nucleophilicity of the molecule. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled.
Formula:C6H9NO2
InChI:InChI=1S/C6H9NO2/c1-6(2,4-7)3-5(8)9/h3H2,1-2H3,(H,8,9)
InChI key:InChIKey=FXIFRFRKBIJVGN-UHFFFAOYSA-N
SMILES:C(C(C#N)(C)C)C(O)=O
Synonyms:
  • Butyric acid, 3-cyano-3-methyl-
  • Butanoic acid, 3-cyano-3-methyl-
  • 3-Cyano-3-methyl-butyric acid
  • 3-Cyano-3-methylbutanoic acid
  • 3-Cyano-3,3-dimethylpropanoic acid
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