3-oxidanyl-2-phenylazanyl-propanoic acid hydrate

Systemtic Name: 3-oxidanyl-2-phenylazanyl-propanoic acid hydrate Openeye Name: 2-anilino-3-hydroxy-propanoic acid hydrate CAS Name: 2-anilino-3-hydroxypropanoic acid hydrate IUPAC Name: 2-anilino-3-hydroxypropanoic acid hydrate Traditional Name: 2-anilino-3-hydroxy-propionic acid hydrate Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.H2O/c11-6-8(9(12)13)10-7-4-2-1-3-5-7;/h1-5,8,10-11H,6H2,(H,12,13);1H2