Pestalone
Properties
Property | Value |
---|---|
Formula | C21H20Cl2O6 |
IUPAC Name | 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methyl-benzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde |
Molecular Mass | 439.286 g·mol−1 |
Heat of Formation | -939.8 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.91 ± 1.08 D |
Volume | 479.13 Å 3 |
Surface Area | 355.98 Å 2 |
HOMO Energy | -9.18 ± 0.55 eV |
LUMO Energy | -1.08 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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InChIKey | ACRANQNXYMAQKJ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Cl |