4-ethanoylbenzoic acid hydrate

Systemtic Name: 4-ethanoylbenzoic acid hydrate Openeye Name: 4-acetylbenzoic acid hydrate CAS Name: 4-acetylbenzoic acid hydrate IUPAC Name: 4-acetylbenzoic acid hydrate Traditional Name: 4-acetylbenzoic acid hydrate Formula: C9H10O4 MolecularWeight: 182.1733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8O3.H2O/c1-6(10)7-2-4-8(5-3-7)9(11)12;/h2-5H,1H3,(H,11,12);1H2