4-methylpentan-2-one; propan-2-one; hydrate

Systemtic Name: 4-methylpentan-2-one; propan-2-one; hydrate Openeye Name: acetone; 4-methylpentan-2-one; hydrate CAS Name: 4-methyl-2-pentanone; 2-propanone; hydrate IUPAC Name: 4-methylpentan-2-one; propan-2-one; hydrate Traditional Name: acetone; 4-methylpentan-2-one; hydrate Formula: C9H20O3 MolecularWeight: 176.2533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C6H12O.C3H6O.H2O/c1-5(2)4-6(3)7;1-3(2)4;/h5H,4H2,1-3H3;1-2H3;1H2