4-oxidanylidenehexanal hydrate

Systemtic Name: 4-oxidanylidenehexanal hydrate Openeye Name: 4-oxohexanal hydrate CAS Name: 4-oxohexanal hydrate IUPAC Name: 4-oxohexanal hydrate Traditional Name: 4-ketohexanal hydrate Formula: C6H12O3 MolecularWeight: 132.15768

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CCC=O.O

Isomeric SMILES

CCC(=O)CCC=O.O

InChI

InChI=1S/C6H10O2.H2O/c1-2-6(8)4-3-5-7;/h5H,2-4H2,1H3;1H2