2-azanyl-3-(4-hydroxyphenyl)propanoic acid dihydrate

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid dihydrate Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid dihydrate CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid dihydrate IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid dihydrate Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid dihydrate Formula: C9H15NO5 MolecularWeight: 217.2191

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)N)O.O.O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)N)O.O.O

InChI

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