2-(6-Oxo-3H-Purin-9-Yl)Acetic Acid
[CAS# 6298-53-9]

Identification

• Name: 2-(6-Oxo-3H-Purin-9-Yl)Acetic Acid
• Synonyms: 2-(6-Keto-3H-Purin-9-Yl)Acetic Acid; 2-(6-Oxo-3H-Purin-9-Yl)Ethanoic Acid; Nsc41848
• Molecular Formula: C₇H₆N₄O₃
• Molecular Weight: 194.15
• CAS Registry Number: 6298-53-9
• SMILES: C2=NC1=C(NC=NC1=O)[N]2CC(=O)O
• InChI: 1S/C7H6N4O3/c12-4(13)1-11-3-10-5-6(11)8-2-9-7(5)14/h2-3H,1H2,(H,12,13)(H,8,9,14)
• InChIKey: UAPMVQVCHTYAII-UHFFFAOYSA-N

Properties

• Density: 1.848g/cm³ (Cal.)
• Boiling point: 615.543°C at 760 mmHg (Cal.)
• Flash point: 326.069°C (Cal.)