2-cyano-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoic acid

Systemtic Name: 2-cyano-3-(2,6-dimethyl-4-oxidanyl-phenyl)propanoic acid Openeye Name: 2-cyano-3-(4-hydroxy-2,6-dimethyl-phenyl)propanoic acid CAS Name: 2-cyano-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid IUPAC Name: 2-cyano-3-(4-hydroxy-2,6-dimethylphenyl)propanoic acid Traditional Name: 2-cyano-3-(4-hydroxy-2,6-dimethyl-phenyl)propionic acid Formula: C12H13NO3 MolecularWeight: 219.23652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CC(C#N)C(=O)O)C)O

Isomeric SMILES

CC1=CC(=CC(=C1CC(C#N)C(=O)O)C)O

InChI

InChI=1S/C12H13NO3/c1-7-3-10(14)4-8(2)11(7)5-9(6-13)12(15)16/h3-4,9,14H,5H2,1-2H3,(H,15,16)