(3S)-6,8-Dihydroxy-3-[2-(4-Methoxyphenyl)Ethyl]-3,4-Dihydro-1H-Isochromen-1-One
Properties
| Property | Value |
|---|---|
| Formula | C18H18O5 |
| IUPAC Name | (3r)-6,8-dihydroxy-3-[2-(4-methoxyphenyl)ethyl]isochroman-1-one |
| Molecular Mass | 314.333 g·mol−1 |
| Heat of Formation | -770.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.27 ± 1.08 D |
| Volume | 363.34 Å 3 |
| Surface Area | 334.11 Å 2 |
| HOMO Energy | -8.85 ± 0.55 eV |
| LUMO Energy | 2.30 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TYFJTEPDESMEHE-OAHLLOKOSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O |