(3R,3As,8Ar)-3-Hydroxy-3-Isopropyl-6,8A-Dimethyl-1,2,3,3A,4,5,8,8A-Octahydro-4-Azulenyl 4-Hydroxybenzoate
Properties
Property | Value |
---|---|
Formula | C22H30O4 |
IUPAC Name | [(3r,3as,4r,8ar)-3-hydroxy-6,8a-dimethyl-3-(1-methylethyl)-1,2,3a,4,5,8-hexahydroazulen-4-yl] 4-hydroxybenzoate |
Molecular Mass | 358.471 g·mol−1 |
Heat of Formation | -782.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.27 ± 1.08 D |
Volume | 451.92 Å 3 |
Surface Area | 355.45 Å 2 |
HOMO Energy | -9.13 ± 0.55 eV |
LUMO Energy | 2.52 ± eV |
Point Group Symmetry | C1 |
InChIKey | CYSHNJQMYORNJI-LGGPRVQUSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |