3-(3-methylphenyl)prop-2-ynoic acid

Systemtic Name: 3-(3-methylphenyl)prop-2-ynoic acid Openeye Name: 3-(m-tolyl)prop-2-ynoic acid CAS Name: 3-(3-methylphenyl)-2-propynoic acid IUPAC Name: 3-(3-methylphenyl)prop-2-ynoic acid Traditional Name: 3-(m-tolyl)propiolic acid Formula: C10H8O2 MolecularWeight: 160.16932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C#CC(=O)O

InChI

InChI=1S/C10H8O2/c1-8-3-2-4-9(7-8)5-6-10(11)12/h2-4,7H,1H3,(H,11,12)