2-(2-fluoranyl-5-methoxy-phenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(2-fluoranyl-5-methoxy-phenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(2-fluoro-5-methoxy-phenyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(2-fluoro-5-methoxyphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(2-fluoro-5-methoxyphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-(2-fluoro-5-methoxy-phenyl)-2-keto-acetaldehyde hydrate Formula: C9H9FO4 MolecularWeight: 200.163763

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7FO3.H2O/c1-13-6-2-3-8(10)7(4-6)9(12)5-11;/h2-5H,1H3;1H2