Hematoxylin

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Properties Simple | Detailed

Formula C16H14O6
IUPAC Name (6ar,11bs)-7,11b-dihydro-6h-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
Molecular Mass 302.279 g·mol−1
Heat of Formation -868.1 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 324.83 Å 3
Surface Area 287.3 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (6ar,11bs)-7,11b-dihydro-6h-indeno[2,1-c]chromene-3,4,6a,9,10-pentol
  • (6ar,11bs)-7,11b-dihydroindeno[2,1-c]chromene-3,4,6a,9,10(6h)-pentol
  • benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-
  • benz[b]indeno[1,2-d]pyran-3,4,6a,9,10(6h)-pentol, 7,11b-dihydro-, cis-(+)-
  • c.i. 75290
  • hematoxyline
  • hydroxybrasilin
  • hydroxylrasilin
CAS Number(s)
  • 517-28-2
InChIKey WZUVPPKBWHMQCE-CJNGLKHVSA-N
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