1-phenylethanone hydrate

Systemtic Name: 1-phenylethanone hydrate Openeye Name: 1-phenylethanone hydrate CAS Name: 1-phenylethanone hydrate IUPAC Name: 1-phenylethanone hydrate Traditional Name: acetophenone hydrate Formula: C8H10O2 MolecularWeight: 138.1638

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=CC=C1.O

Isomeric SMILES

CC(=O)C1=CC=CC=C1.O

InChI

InChI=1S/C8H8O.H2O/c1-7(9)8-5-3-2-4-6-8;/h2-6H,1H3;1H2