5-(4-cyanophenyl)pent-4-ynoic acid

Systemtic Name: 5-(4-cyanophenyl)pent-4-ynoic acid Openeye Name: 5-(4-cyanophenyl)pent-4-ynoic acid CAS Name: 5-(4-cyanophenyl)-4-pentynoic acid IUPAC Name: 5-(4-cyanophenyl)pent-4-ynoic acid Traditional Name: 5-(4-cyanophenyl)pent-4-ynoic acid Formula: C12H9NO2 MolecularWeight: 199.20536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H9NO2/c13-9-11-7-5-10(6-8-11)3-1-2-4-12(14)15/h5-8H,2,4H2,(H,14,15)