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2-(Cyanomethyl)benzoic acid
Weight161.16 g/mol
FormulaC9H7NO2
Hydrogen Acceptors2
Hydrogen Donors1
Aromatic Rings1
Rotatable Bonds2

2-(Cyanomethyl)benzoic acid (6627-91-4)

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Alternate Names

  • SMILES
    C1=CC=C(C(=C1)CC#N)C(=O)O
  • InChIKey
    AGXBHBJDSLZGAP-UHFFFAOYSA-N

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Synthesis

benzoic acid  +  CHLOROACETONITRILE (Friedel-Crafts alkylation)
Reactant  +  dimethyl sulfide (Corey-Kim oxidation of secondary alcohols)
Synthesis of 2-(Cyanomethyl)benzoic acid ›

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