1H-2-Benzopyran-6,8(7H,8Ah)-Dione, 7-(Acetyloxy)-5-Chloro-3-(3,5-Dimethyl-1,3-Heptadienyl)-8A-Hydroxy-7-Methyl-

Molecule SVG Image

Properties Simple | Detailed

Formula C21H25ClO6
IUPAC Name [(7s,8as)-5-chloro-3-[(1e,3e,5r)-3,5-dimethylhepta-1,3-dienyl]-8a-hydroxy-7-methyl-6,8-dioxo-1h-isochromen-7-yl] acetate
Molecular Mass 408.873 g·mol−1
Heat of Formation -956.2 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 478.71 Å 3
Surface Area 410.14 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
InChIKey AJQIMDBOBJADCM-FGJPCINASA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl