Gentisuric Acid
[CAS# 25351-24-0]

Identification

• Name: Gentisuric Acid
• Synonyms: 2-[[(2,5-Dihydroxyphenyl)-Oxomethyl]Amino]Acetic Acid; 2-[(2,5-Dihydroxyphenyl)Carbonylamino]Ethanoic Acid; 2,5-Dihydroxybenzoyl-N-Glycine
• Molecular Formula: C₉H₉NO₅
• Molecular Weight: 211.17
• CAS Registry Number: 25351-24-0
• SMILES: C1=C(O)C=CC(=C1C(NCC(O)=O)=O)O
• InChI: 1S/C9H9NO5/c11-5-1-2-7(12)6(3-5)9(15)10-4-8(13)14/h1-3,11-12H,4H2,(H,10,15)(H,13,14)
• InChIKey: FBFATOOJCPDQOZ-UHFFFAOYSA-N

Properties

• Density: 1.533g/cm³ (Cal.)
• Boiling point: 530.073°C at 760 mmHg (Cal.)
• Flash point: 274.379°C (Cal.)

References

• (1): Powers RA, Morandi F, Shoichet BK. Structure-based discovery of a novel, noncovalent inhibitor of AmpC beta-lactamase., Structure. 2002 Jul;10(7):1013-23