3-(4-chlorophenyl)-2-oxidanylidene-propanal hydrate

Systemtic Name: 3-(4-chlorophenyl)-2-oxidanylidene-propanal hydrate Openeye Name: 3-(4-chlorophenyl)-2-oxo-propanal hydrate CAS Name: 3-(4-chlorophenyl)-2-oxopropanal hydrate IUPAC Name: 3-(4-chlorophenyl)-2-oxopropanal hydrate Traditional Name: 3-(4-chlorophenyl)-2-keto-propionaldehyde hydrate Formula: C9H9ClO3 MolecularWeight: 200.61896

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)C=O)Cl.O

Isomeric SMILES

C1=CC(=CC=C1CC(=O)C=O)Cl.O

InChI

InChI=1S/C9H7ClO2.H2O/c10-8-3-1-7(2-4-8)5-9(12)6-11;/h1-4,6H,5H2;1H2