ethanoic acid; 2-methylcyclohexa-2,4-dien-1-one

Systemtic Name: ethanoic acid; 2-methylcyclohexa-2,4-dien-1-one Openeye Name: acetic acid; 2-methylcyclohexa-2,4-dien-1-one CAS Name: acetic acid; 2-methyl-1-cyclohexa-2,4-dienone IUPAC Name: acetic acid; 2-methylcyclohexa-2,4-dien-1-one Traditional Name: acetic acid; 2-methylcyclohexa-2,4-dien-1-one Formula: C9H12O3 MolecularWeight: 168.18978

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CCC1=O.CC(=O)O

Isomeric SMILES

CC1=CC=CCC1=O.CC(=O)O

InChI

InChI=1S/C7H8O.C2H4O2/c1-6-4-2-3-5-7(6)8;1-2(3)4/h2-4H,5H2,1H3;1H3,(H,3,4)