3-(1,3-Heptadienyl)-5,6-Dihydroxy-2-(Hydroxymethyl)Cyclohexanone
Properties
| Property | Value |
|---|---|
| Formula | C14H22O4 |
| IUPAC Name | (2r,3r,5s,6s)-5-[(1e,3e)-hepta-1,3-dienyl]-2,3-dihydroxy-6-(hydroxymethyl)cyclohexanone |
| Molecular Mass | 254.322 g·mol−1 |
| Heat of Formation | -722.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.74 ± 1.08 D |
| Volume | 326.61 Å 3 |
| Surface Area | 301.72 Å 2 |
| HOMO Energy | -9.31 ± 0.55 eV |
| LUMO Energy | -0.12 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MPOXQBRZHHNMER-MBJNRTKQSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |