Methyl 5-Bromo-10-Hydroxy-8-Methyl-3,11-Dioxo-3,11-Dihydro-1H-Oxepino[4,3-B]Chromene-1-Carboxylate
Properties
Property | Value |
---|---|
Formula | C16H12BrO7+ |
IUPAC Name | methyl (1r)-5-bromo-10-hydroxy-8-methyl-3,11-dioxo-1h-oxepino[4,3-b]chromen-6-ium-1-carboxylate |
Molecular Mass | 396.166 g·mol−1 |
Heat of Formation | -902.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 7.62 ± 1.08 D |
Volume | 364.02 Å 3 |
Surface Area | 319.25 Å 2 |
HOMO Energy | -9.67 ± 0.55 eV |
LUMO Energy | 1.42 ± eV |
Point Group Symmetry | C1 |
InChIKey | GHGYPOFJBFBJIY-OAHLLOKOSA-O |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O Br |