2-azanyl-3-(4-hydroxyphenyl)propanoic acid; butane-2,3-dione

Systemtic Name: 2-azanyl-3-(4-hydroxyphenyl)propanoic acid; butane-2,3-dione Openeye Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; butane-2,3-dione CAS Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; butane-2,3-dione IUPAC Name: 2-amino-3-(4-hydroxyphenyl)propanoic acid; butane-2,3-dione Traditional Name: 2-amino-3-(4-hydroxyphenyl)propionic acid; biacetyl Formula: C13H17NO5 MolecularWeight: 267.27778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H11NO3.C4H6O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;1-3(5)4(2)6/h1-4,8,11H,5,10H2,(H,12,13);1-2H3