1H-quinolin-4-one trihydrate

Systemtic Name: 1H-quinolin-4-one trihydrate Openeye Name: 1H-quinolin-4-one trihydrate CAS Name: 1H-quinolin-4-one trihydrate IUPAC Name: 1H-quinolin-4-one trihydrate Traditional Name: 4-quinolone trihydrate Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C=CN2.O.O.O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C=CN2.O.O.O

InChI

InChI=1S/C9H7NO.3H2O/c11-9-5-6-10-8-4-2-1-3-7(8)9;;;/h1-6H,(H,10,11);3*1H2