Atractylenolide Iii
Properties
Property | Value |
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Formula | C15H20O3 |
IUPAC Name | (4as,8ar,9as)-9a-hydroxy-3,8a-dimethyl-5-methylene-4,4a,6,7,8,9-hexahydrobenzo[f]benzofuran-2-one |
Molecular Mass | 248.317 g·mol−1 |
Heat of Formation | -527.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.21 ± 1.08 D |
Volume | 304.7 Å 3 |
Surface Area | 260.33 Å 2 |
HOMO Energy | -9.87 ± 0.55 eV |
LUMO Energy | -0.36 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | FBMORZZOJSDNRQ-GLQYFDAESA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O |