Formula |
C6H6N4O3 |
IUPAC Name |
3-methoxy-7h-purine-2,6-dione |
Molecular Mass |
182.137 g·mol−1 |
Heat of Formation |
-183.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.41 ± 1.08 D |
Volume |
189.2 Å 3 |
Surface Area |
185.73 Å 2 |
HOMO Energy |
-9.60 ± 0.55 eV |
LUMO Energy |
1.97 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 1h-purine-2,6-dione, 3,7-dihydro-3-methoxy-
- 3-methoxy-7h-purine-2,6-dione
- 3-methoxy-7h-purine-2,6-quinone
- 3-methoxyxanthine
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CAS Number(s) |
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InChIKey |
MTDDRMZQPQLXPK-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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