1,9-Dimethylxanthine
Properties
Property | Value |
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Formula | C7H8N4O2 |
IUPAC Name | 1,9-dimethyl-3,8-dihydropurine-4,5,7,8-tetraide-2,6-dione |
Molecular Mass | 180.164 g·mol−1 |
Heat of Formation | -161.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.22 ± 1.08 D |
Volume | 198.3 Å 3 |
Surface Area | 194.62 Å 2 |
HOMO Energy | -9.32 ± 0.55 eV |
LUMO Energy | 2.68 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | XKZALMBJTMJPFU-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |