(3E,3Ar,4Ar,6R,7Ar,9Ar,9Br)-3-Ethylidene-6-Hydroxy-3,3A,6,7,7A,9B-Hexahydro-2H,4Ah-1,4,5-Trioxadicyclopenta[A,Hi]Inden-2-One
Properties
| Property | Value |
|---|---|
| Formula | C13H14O5 |
| IUPAC Name | (3e,3ar,4ar,6r,7ar,9ar,9br)-3-ethylidene-6-hydroxy-3,3a,6,7,7a,9b-hexahydro-2h,4ah-1,4,5-trioxadicyclopenta[a,hi]inden-2-one |
| Molecular Mass | 250.247 g·mol−1 |
| Heat of Formation | -746.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.13 ± 1.08 D |
| Volume | 274.78 Å 3 |
| Surface Area | 244.9 Å 2 |
| HOMO Energy | -10.37 ± 0.55 eV |
| LUMO Energy | -0.36 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DWWKELQVGKIHDR-MXXFXNOVSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |