(4S)-2-Allyl-4-[(1E)-1-(1,3-Benzodioxol-5-Yl)-1-Propen-2-Yl]-4,5-Dimethoxy-2,5-Cyclohexadien-1-One
Properties
| Property | Value |
|---|---|
| Formula | C21H22O5 |
| IUPAC Name | (4s)-2-allyl-4-[(e)-2-(1,3-benzodioxol-5-yl)-1-methyl-vinyl]-4,5-dimethoxy-cyclohexa-2,5-dien-1-one |
| Molecular Mass | 354.396 g·mol−1 |
| Heat of Formation | -448.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.36 ± 1.08 D |
| Volume | 435.61 Å 3 |
| Surface Area | 366.16 Å 2 |
| HOMO Energy | -8.83 ± 0.55 eV |
| LUMO Energy | -0.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AOZTYYBGNNXAOI-PBAKHKOTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |