3-Acetoxyxanthine
[CAS# 22052-01-3]

Identification

• Name: 3-Acetoxyxanthine
• Synonyms: Acetic Acid (2,6-Dioxo-7H-Purin-3-Yl) Ester; Acetic Acid (2,6-Diketo-7H-Purin-3-Yl) Ester; (2,6-Dioxo-7H-Purin-3-Yl) Ethanoate
• Molecular Formula: C₇H₆N₄O₄
• Molecular Weight: 210.15
• CAS Registry Number: 22052-01-3
• SMILES: C2=NC1=C(C(NC(N1OC(=O)C)=O)=O)[NH]2
• InChI: 1S/C7H6N4O4/c1-3(12)15-11-5-4(8-2-9-5)6(13)10-7(11)14/h2H,1H3,(H,8,9)(H,10,13,14)
• InChIKey: JFZOYDLNLQWKIZ-UHFFFAOYSA-N

Properties

• Density: 1.736g/cm³ (Cal.)