Xanthurenic acid

• CAS: 59-00-7
• Catalog Number: ACM59007
• Category: Quinolines
• Molecular Weight: 205.17
• Molecular Formula: C10H7NO4
• Synonyms: 4,8-Dihydroxy-quinaldicaci
• IUPAC Name: 8-Hydroxy-4-oxo-1H-quinoline-2-carboxylic acid
• Canonical SMILES: C1=CC2=C(C(=C1)O)NC(=CC2=O)C(=O)O
• InChI: InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15)
• InChI Key: FBZONXHGGPHHIY-UHFFFAOYSA-N
• Boiling Point: 343.83 °C
• Melting Point: 297-298 °C(lit.)
• Flash Point: 205.8 °C
• Density: 1.3849 g/cm³
• Appearance: Solid
• Storage: Sealed in dry, 2-8 °C
• Complexity: 336
• Exact Mass: 205.03750770
• Monoisotopic Mass: 205.03750770
• pKa: 1.20±0.30(Predicted)
• Refractive Index: 1.5600
• Topological Polar Surface Area: 86.6 Ų