(4S,5S)-9-Methoxy-4,5-Dihydrobenzo[Pqr]Tetraphene-4,5-Diol
Properties
| Property | Value |
|---|---|
| Formula | C21H16O3 |
| IUPAC Name | (4r,5s)-9-methoxy-4,5-dihydrobenzo[a]pyrene-4,5-diol |
| Molecular Mass | 316.350 g·mol−1 |
| Heat of Formation | -261.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.82 ± 1.08 D |
| Volume | 357.04 Å 3 |
| Surface Area | 313.37 Å 2 |
| HOMO Energy | -8.53 ± 0.55 eV |
| LUMO Energy | -1.03 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | INBRASMQRHSCFN-RTWAWAEBSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |