4-(1,3-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Benzenesulfonic Acid
Properties
Property | Value |
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Formula | C13H12N4O5S |
IUPAC Name | 4-(1,3-dimethyl-2,6-dioxo-7h-purin-8-yl)benzenesulfonic acid |
Molecular Mass | 336.323 g·mol−1 |
Heat of Formation | -607.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.25 ± 1.08 D |
Volume | 346.13 Å 3 |
Surface Area | 318.29 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | -1.91 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | LXJSJIXZOAMHTG-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |