1,3,7-Trimethyluric acid

• CAS: 5415-44-1
• Catalog Number: ACM5415441
• Category: Other Products
• Molecular Weight: 210.19
• Molecular Formula: C8H10N4O3
• Synonyms: Trimethyl uric acid
• IUPAC Name: 1,3,7-Trimethyl-9H-purine-2,6,8-trione
• Canonical SMILES: CN1C2=C(NC1=O)N(C(=O)N(C2=O)C)C
• InChI: InChI=1S/C8H10N4O3/c1-10-4-5(9-7(10)14)11(2)8(15)12(3)6(4)13/h1-3H3,(H,9,14)
• InChI Key: BYXCFUMGEBZDDI-UHFFFAOYSA-N
• Boiling Point: 349.7 °C
• Melting Point: ≥300 °C
• Flash Point: 242.1 °C
• Density: 1.3649 g/cm³
• Appearance: White to pale beige solid
• Storage: Refrigerator
• Complexity: 414
• EC Number: 226-507-9
• Exact Mass: 210.07529019
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Monoisotopic Mass: 210.07529019
• pKa: 5.85±0.70(Predicted)
• Refractive Index: 1.6590
• Topological Polar Surface Area: 73 Ų