Scopolin
Properties
| Property | Value |
|---|---|
| Formula | C16H18O9 |
| IUPAC Name | 6-methoxy-7-[(2s,3r,4s,5r,6r)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-2-one |
| Molecular Mass | 354.309 g·mol−1 |
| Heat of Formation | -1382.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.86 ± 1.08 D |
| Volume | 385.13 Å 3 |
| Surface Area | 341.01 Å 2 |
| HOMO Energy | -8.99 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SGTCGCCQZOUMJJ-DZQJYWQESA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |