1-Methyl-3-acetoxyxanthine
(1-methyl-2,6-dioxo-7H-purin-3-yl) acetate
Also Known As: 1-Methyl-3-acetoxyxanthine|1-methyl-3-acetoxy-xanthine|(1-methyl-2,6-dioxo-7H-purin-3-yl) acetate|3-acetoxy-1-methyl-3,7-dihydro-1h-purine-2,6-dione|1-Methyl-2,6-dioxo-1H-purin-3(2H,6H,7H)-yl acetate|3-(Acetyloxy)-3,7-dihydro-1-methyl-1H-purine-2,6-dione|1-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-3-yl acetate|1-Methyl-2,6-dioxo-1,2,6,7-tetrahydro-3H-purin-3-yl acetate
CAS: 39227-95-7
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05455 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05455 |
| Monoisotopic Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 39227-95-7 |
|---|---|
| SMILES | CC(=O)ON1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChIKey | WTYAEKHBLPBAPE-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-acetoxyxanthine (CAS 39227-95-7), with molecular formula C8H8N4O4 and molecular weight 224.05455 g/mol. IUPAC: (1-methyl-2,6-dioxo-7H-purin-3-yl) acetate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
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