4-(1-cyanoethyl)benzoic acid

Systemtic Name: 4-(1-cyanoethyl)benzoic acid Openeye Name: 4-(1-cyanoethyl)benzoic acid CAS Name: 4-(1-cyanoethyl)benzoic acid IUPAC Name: 4-(1-cyanoethyl)benzoic acid Traditional Name: 4-(1-cyanoethyl)benzoic acid Formula: C10H9NO2 MolecularWeight: 175.18396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H9NO2/c1-7(6-11)8-2-4-9(5-3-8)10(12)13/h2-5,7H,1H3,(H,12,13)