2-cyano-2-(2-methylphenyl)butanoic acid

Systemtic Name: 2-cyano-2-(2-methylphenyl)butanoic acid Openeye Name: 2-cyano-2-(o-tolyl)butanoic acid CAS Name: 2-cyano-2-(2-methylphenyl)butanoic acid IUPAC Name: 2-cyano-2-(2-methylphenyl)butanoic acid Traditional Name: 2-cyano-2-(o-tolyl)butyric acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C#N)(C1=CC=CC=C1C)C(=O)O

Isomeric SMILES

CCC(C#N)(C1=CC=CC=C1C)C(=O)O

InChI

InChI=1S/C12H13NO2/c1-3-12(8-13,11(14)15)10-7-5-4-6-9(10)2/h4-7H,3H2,1-2H3,(H,14,15)