| Formula |
C8H8N4O4 |
| IUPAC Name |
(1-methyl-2,6-dioxo-7,8-dihydropurine-4,5,8,9-tetraid-3-yl) acetate |
| Molecular Mass |
224.174 g·mol−1 |
| Heat of Formation |
-376.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
2.92 ± 1.08 D |
| Volume |
234.89 Å 3 |
| Surface Area |
221.09 Å 2 |
| HOMO Energy |
-9.55 ± 0.55 eV |
| LUMO Energy |
1.98 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (1-methyl-2,6-dioxo-7h-purin-3-yl) acetate
- (1-methyl-2,6-dioxo-7h-purin-3-yl) ethanoate
- 1-methyl-3-acetoxyxanthine
- 3-(acetyloxy)-3,7-dihydro-1-methyl-1h-purine-2,6-dione
- acetic acid (1-methyl-2,6-dioxo-7h-purin-3-yl) ester
- acetic acid (2,6-diketo-1-methyl-7h-purin-3-yl) ester
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| CAS Number(s) |
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| InChIKey |
WTYAEKHBLPBAPE-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
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