4-methoxy-1-(3-methylphenyl)but-2-yn-1-one

Systemtic Name: 4-methoxy-1-(3-methylphenyl)but-2-yn-1-one Openeye Name: 4-methoxy-1-(m-tolyl)but-2-yn-1-one CAS Name: 4-methoxy-1-(3-methylphenyl)-2-butyn-1-one IUPAC Name: 4-methoxy-1-(3-methylphenyl)but-2-yn-1-one Traditional Name: 4-methoxy-1-(m-tolyl)but-2-yn-1-one Formula: C12H12O2 MolecularWeight: 188.22248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12O2/c1-10-5-3-6-11(9-10)12(13)7-4-8-14-2/h3,5-6,9H,8H2,1-2H3