3-oxidanylidenebutanoic acid; propane-1,2,3-triol

Systemtic Name: 3-oxidanylidenebutanoic acid; propane-1,2,3-triol Openeye Name: glycerol; 3-oxobutanoic acid CAS Name: 3-oxobutanoic acid; propane-1,2,3-triol IUPAC Name: 3-oxobutanoic acid; propane-1,2,3-triol Traditional Name: acetoacetic acid; glycerol Formula: C7H14O6 MolecularWeight: 194.18246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)O.C(C(CO)O)O

Isomeric SMILES

CC(=O)CC(=O)O.C(C(CO)O)O

InChI

InChI=1S/C4H6O3.C3H8O3/c1-3(5)2-4(6)7;4-1-3(6)2-5/h2H2,1H3,(H,6,7);3-6H,1-2H2