(3R,3As)-3-Butyl-3A,4,5,6-Tetrahydro-2-Benzofuran-1(3H)-One
Properties
| Property | Value |
|---|---|
| Formula | C12H18O2 |
| IUPAC Name | (3r,3as)-3-butyl-3a,4,5,6-tetrahydro-3h-isobenzofuran-1-one |
| Molecular Mass | 194.270 g·mol−1 |
| Heat of Formation | -409.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.43 ± 1.08 D |
| Volume | 255.19 Å 3 |
| Surface Area | 243.4 Å 2 |
| HOMO Energy | -10.19 ± 0.55 eV |
| LUMO Energy | 2.96 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | UPJFTVFLSIQQAV-GXSJLCMTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |