1-cyano-3-methyl-cyclohexane-1-carboxylic acid

Systemtic Name: 1-cyano-3-methyl-cyclohexane-1-carboxylic acid Openeye Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid CAS Name: 1-cyano-3-methyl-1-cyclohexanecarboxylic acid IUPAC Name: 1-cyano-3-methylcyclohexane-1-carboxylic acid Traditional Name: 1-cyano-3-methyl-cyclohexanecarboxylic acid Formula: C9H13NO2 MolecularWeight: 167.20502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1)(C#N)C(=O)O

Isomeric SMILES

CC1CCCC(C1)(C#N)C(=O)O

InChI

InChI=1S/C9H13NO2/c1-7-3-2-4-9(5-7,6-10)8(11)12/h7H,2-5H2,1H3,(H,11,12)