ethanoic acid; methylbenzene; propan-2-one

Systemtic Name: ethanoic acid; methylbenzene; propan-2-one Openeye Name: acetic acid; acetone; toluene CAS Name: acetic acid; 2-propanone; toluene IUPAC Name: acetic acid; propan-2-one; toluene Traditional Name: acetic acid; acetone; toluene Formula: C12H18O3 MolecularWeight: 210.26952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C3H6O.C2H4O2/c1-7-5-3-2-4-6-7;1-3(2)4;1-2(3)4/h2-6H,1H3;1-2H3;1H3,(H,3,4)