3-cyano-3-(2,4-dimethylphenyl)propanoic acid

Systemtic Name: 3-cyano-3-(2,4-dimethylphenyl)propanoic acid Openeye Name: 3-cyano-3-(2,4-dimethylphenyl)propanoic acid CAS Name: 3-cyano-3-(2,4-dimethylphenyl)propanoic acid IUPAC Name: 3-cyano-3-(2,4-dimethylphenyl)propanoic acid Traditional Name: 3-cyano-3-(2,4-dimethylphenyl)propionic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(CC(=O)O)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)C(CC(=O)O)C#N)C

InChI

InChI=1S/C12H13NO2/c1-8-3-4-11(9(2)5-8)10(7-13)6-12(14)15/h3-5,10H,6H2,1-2H3,(H,14,15)