2-azanyl-3-oxidanyl-3-phenyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-oxidanyl-3-phenyl-propanoic acid hydrate Openeye Name: 2-amino-3-hydroxy-3-phenyl-propanoic acid hydrate CAS Name: 2-amino-3-hydroxy-3-phenylpropanoic acid hydrate IUPAC Name: 2-amino-3-hydroxy-3-phenylpropanoic acid hydrate Traditional Name: 2-amino-3-hydroxy-3-phenyl-propionic acid hydrate Formula: C9H13NO4 MolecularWeight: 199.20382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.H2O/c10-7(9(12)13)8(11)6-4-2-1-3-5-6;/h1-5,7-8,11H,10H2,(H,12,13);1H2