4-(2,6-Dioxo-1,3-Dipropyl-2,3,6,7-Tetrahydro-1H-Purin-8-Yl)Benzoic Acid
Properties
Property | Value |
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Formula | C18H20N4O4 |
IUPAC Name | 4-(2,6-dioxo-1,3-dipropyl-7h-purin-8-yl)benzoic acid |
Molecular Mass | 356.376 g·mol−1 |
Heat of Formation | -554.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.13 ± 1.08 D |
Volume | 416.39 Å 3 |
Surface Area | 374.18 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 1.46 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | DNQSBNFCLWHHHQ-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 |