ethanoic acid; 3-methylcyclohexan-1-one

Systemtic Name: ethanoic acid; 3-methylcyclohexan-1-one Openeye Name: acetic acid; 3-methylcyclohexanone CAS Name: acetic acid; 3-methyl-1-cyclohexanone IUPAC Name: acetic acid; 3-methylcyclohexan-1-one Traditional Name: acetic acid; 3-methylcyclohexanone Formula: C9H16O3 MolecularWeight: 172.22154

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(=O)C1.CC(=O)O

Isomeric SMILES

CC1CCCC(=O)C1.CC(=O)O

InChI

InChI=1S/C7H12O.C2H4O2/c1-6-3-2-4-7(8)5-6;1-2(3)4/h6H,2-5H2,1H3;1H3,(H,3,4)