Pestalone

Molecule SVG Image

Properties Simple | Detailed

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
  • 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methyl-phenyl)carbonyl-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
  • 2-(3,5-dichloro-2-hydroxy-6-methoxy-4-methylbenzoyl)-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
  • 2-[(3,5-dichloro-2-hydroxy-6-methoxy-4-methylphenyl)-oxomethyl]-4,6-dihydroxy-3-(3-methylbut-2-enyl)benzaldehyde
InChIKey ACRANQNXYMAQKJ-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O Cl