(2S,3R,3As)-5-Allyl-2-(3,4-Dimethoxyphenyl)-3A-Methoxy-3-Methyl-3,3A-Dihydro-1-Benzofuran-6(2H)-One
Properties
Property | Value |
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Formula | C21H24O5 |
IUPAC Name | (2s,3r,3as)-5-allyl-2-(3,4-dimethoxyphenyl)-3a-methoxy-3-methyl-2,3-dihydrobenzofuran-6-one |
Molecular Mass | 356.412 g·mol−1 |
Heat of Formation | -546.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.05 ± 1.08 D |
Volume | 436.04 Å 3 |
Surface Area | 360.04 Å 2 |
HOMO Energy | -8.51 ± 0.55 eV |
LUMO Energy | 2.39 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | VDYACOATPFOZIO-UBWHGVKJSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |