3-(2-cyanopropan-2-yl)-5-methyl-benzoic acid

Systemtic Name: 3-(2-cyanopropan-2-yl)-5-methyl-benzoic acid Openeye Name: 3-(1-cyano-1-methyl-ethyl)-5-methyl-benzoic acid CAS Name: 3-(2-cyanopropan-2-yl)-5-methylbenzoic acid IUPAC Name: 3-(2-cyanopropan-2-yl)-5-methylbenzoic acid Traditional Name: 3-(1-cyano-1-methyl-ethyl)-5-methyl-benzoic acid Formula: C12H13NO2 MolecularWeight: 203.23712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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