(1S,4R,7Ar)-4-Butoxy-1-[(2R)-1-Oxo-2-Butanyl]-2,4,5,6,7,7A-Hexahydro-1H-Isoindole-3-Carboxylic Acid
Properties
| Property | Value |
|---|---|
| Formula | C17H27NO4 |
| IUPAC Name | (3s,3ar,7r)-7-butoxy-3-[(1r)-1-formylpropyl]-3,3a,4,5,6,7-hexahydro-2h-isoindole-1-carboxylic acid |
| Molecular Mass | 309.401 g·mol−1 |
| Heat of Formation | -755.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.04 ± 1.08 D |
| Volume | 393.94 Å 3 |
| Surface Area | 343.27 Å 2 |
| HOMO Energy | -8.76 ± 0.55 eV |
| LUMO Energy | 2.71 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WRBRCIHZCYLBFW-KYEXWDHISA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |