1,3,6-Trihydroxy-8-(3-Methylbutyl)-9,10-Anthraquinone

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Properties Simple | Detailed

Formula C19H18O5
IUPAC Name 1,3,6-trihydroxy-8-isopentyl-anthracene-9,10-dione
Molecular Mass 326.343 g·mol−1
Heat of Formation -731.2 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 375.7 Å 3
Surface Area 329.67 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 1,3,6-trihydroxy-8-(3-methylbutyl)anthraquinone
  • 1,3,6-trihydroxy-8-isoamyl-9,10-anthraquinone
  • 1,3,6-trihydroxy-8-isopentylanthracene-9,10-dione
  • 9,10-anthracenedione, 1,3,6-trihydroxy-8-(3-methylbutyl)-
  • r 1128c
  • r-1128c
  • r1128c
CAS Number(s)
  • 135161-98-7
InChIKey HQIGXKMUTUJEER-UHFFFAOYSA-N
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Elements H C O