2-(3-methylphenyl)-2-oxidanylidene-ethanal hydrate

Systemtic Name: 2-(3-methylphenyl)-2-oxidanylidene-ethanal hydrate Openeye Name: 2-(m-tolyl)-2-oxo-acetaldehyde hydrate CAS Name: 2-(3-methylphenyl)-2-oxoacetaldehyde hydrate IUPAC Name: 2-(3-methylphenyl)-2-oxoacetaldehyde hydrate Traditional Name: 2-keto-2-(m-tolyl)acetaldehyde hydrate Formula: C9H10O3 MolecularWeight: 166.1739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C=O.O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C=O.O

InChI

InChI=1S/C9H8O2.H2O/c1-7-3-2-4-8(5-7)9(11)6-10;/h2-6H,1H3;1H2