3-(4-cyanophenyl)prop-2-ynoic acid

Systemtic Name: 3-(4-cyanophenyl)prop-2-ynoic acid Openeye Name: 3-(4-cyanophenyl)prop-2-ynoic acid CAS Name: 3-(4-cyanophenyl)-2-propynoic acid IUPAC Name: 3-(4-cyanophenyl)prop-2-ynoic acid Traditional Name: 3-(4-cyanophenyl)propiolic acid Formula: C10H5NO2 MolecularWeight: 171.1522

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#CC(=O)O)C#N

Isomeric SMILES

C1=CC(=CC=C1C#CC(=O)O)C#N

InChI

InChI=1S/C10H5NO2/c11-7-9-3-1-8(2-4-9)5-6-10(12)13/h1-4H,(H,12,13)