2-azanyl-3-phenyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-phenyl-propanoic acid hydrate Openeye Name: 2-amino-3-phenyl-propanoic acid hydrate CAS Name: 2-amino-3-phenylpropanoic acid hydrate IUPAC Name: 2-amino-3-phenylpropanoic acid hydrate Traditional Name: 2-amino-3-phenyl-propionic acid hydrate Formula: C9H13NO3 MolecularWeight: 183.20442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO2.H2O/c10-8(9(11)12)6-7-4-2-1-3-5-7;/h1-5,8H,6,10H2,(H,11,12);1H2