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

Systemtic Name: 3-(4-methoxyphenyl)-2-oxidanylidene-propanal hydrate Openeye Name: 3-(4-methoxyphenyl)-2-oxo-propanal hydrate CAS Name: 3-(4-methoxyphenyl)-2-oxopropanal hydrate IUPAC Name: 3-(4-methoxyphenyl)-2-oxopropanal hydrate Traditional Name: 2-keto-3-(4-methoxyphenyl)propionaldehyde hydrate Formula: C10H12O4 MolecularWeight: 196.19988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)C=O.O

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)C=O.O

InChI

InChI=1S/C10H10O3.H2O/c1-13-10-4-2-8(3-5-10)6-9(12)7-11;/h2-5,7H,6H2,1H3;1H2