3-(3,4-dimethylphenyl)prop-2-ynoic acid

Systemtic Name: 3-(3,4-dimethylphenyl)prop-2-ynoic acid Openeye Name: 3-(3,4-dimethylphenyl)prop-2-ynoic acid CAS Name: 3-(3,4-dimethylphenyl)-2-propynoic acid IUPAC Name: 3-(3,4-dimethylphenyl)prop-2-ynoic acid Traditional Name: 3-(3,4-dimethylphenyl)propiolic acid Formula: C11H10O2 MolecularWeight: 174.1959

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10O2/c1-8-3-4-10(7-9(8)2)5-6-11(12)13/h3-4,7H,1-2H3,(H,12,13)