6-[(2S,3R)-4-(6-Hydroxy-1,3-Dihydro-2-Benzofuran-5-Yl)-2,3-Dimethylbutyl]-1,3-Benzodioxol-5-Ol
Properties
Property | Value |
---|---|
Formula | C21H24O5 |
IUPAC Name | 6-[(2s,3r)-4-(6-hydroxy-1,3-dihydroisobenzofuran-5-yl)-2,3-dimethyl-butyl]-1,3-benzodioxol-5-ol |
Molecular Mass | 356.412 g·mol−1 |
Heat of Formation | -720.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 0.61 ± 1.08 D |
Volume | 431.36 Å 3 |
Surface Area | 348.04 Å 2 |
HOMO Energy | -8.55 ± 0.55 eV |
LUMO Energy | -0.21 ± eV |
Point Group Symmetry | C1 |
InChIKey | NFRPGCQSGHWKCJ-OLZOCXBDSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |