2-(3,4-Dimethoxyphenyl)-3A-Methoxy-3-Methyl-5-Propyl-3,3A-Dihydro-1-Benzofuran-6(2H)-One
Properties
Property | Value |
---|---|
Formula | C21H26O5 |
IUPAC Name | (2r,3s,3as)-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-5-propyl-2,3-dihydrobenzofuran-6-one |
Molecular Mass | 358.428 g·mol−1 |
Heat of Formation | -647.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 2.58 ± 1.08 D |
Volume | 442.28 Å 3 |
Surface Area | 378.38 Å 2 |
HOMO Energy | -9.01 ± 0.55 eV |
LUMO Energy | -0.68 ± eV |
Point Group Symmetry | C1 |
InChIKey | SLMFJWTXIZCNBN-DYXDTQHNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |