3,7-Dimethylxanthine-1-Methanecarboxylic Acid
Properties
Property | Value |
---|---|
Formula | C9H10N4O4 |
IUPAC Name | 2-(3,7-dimethyl-2,6-dioxo-8h-purine-4,5,8,9-tetraid-1-yl)acetic acid |
Molecular Mass | 238.200 g·mol−1 |
Heat of Formation | -551.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.25 ± 1.08 D |
Volume | 257.77 Å 3 |
Surface Area | 237.28 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | -0.92 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | YCTSCXLOPJCPDH-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 |