2-azanyl-3-[2,5-bis(oxidanyl)phenyl]propanoic acid hydrate

Systemtic Name: 2-azanyl-3-[2,5-bis(oxidanyl)phenyl]propanoic acid hydrate Openeye Name: 2-amino-3-(2,5-dihydroxyphenyl)propanoic acid hydrate CAS Name: 2-amino-3-(2,5-dihydroxyphenyl)propanoic acid hydrate IUPAC Name: 2-amino-3-(2,5-dihydroxyphenyl)propanoic acid hydrate Traditional Name: 2-amino-3-(2,5-dihydroxyphenyl)propionic acid hydrate Formula: C9H13NO5 MolecularWeight: 215.20322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)CC(C(=O)O)N)O.O

Isomeric SMILES

C1=CC(=C(C=C1O)CC(C(=O)O)N)O.O

InChI

InChI=1S/C9H11NO4.H2O/c10-7(9(13)14)4-5-3-6(11)1-2-8(5)12;/h1-3,7,11-12H,4,10H2,(H,13,14);1H2