6-oxidanylidenepiperidine-3-carboxylic acid hydrate

Systemtic Name: 6-oxidanylidenepiperidine-3-carboxylic acid hydrate Openeye Name: 6-oxopiperidine-3-carboxylic acid hydrate CAS Name: 6-oxo-3-piperidinecarboxylic acid hydrate IUPAC Name: 6-oxopiperidine-3-carboxylic acid hydrate Traditional Name: 6-ketonipecotic acid hydrate Formula: C6H11NO4 MolecularWeight: 161.15584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NCC1C(=O)O.O

Isomeric SMILES

C1CC(=O)NCC1C(=O)O.O

InChI

InChI=1S/C6H9NO3.H2O/c8-5-2-1-4(3-7-5)6(9)10;/h4H,1-3H2,(H,7,8)(H,9,10);1H2