2,8-Bis(2,4-Dihydroxy-6-Methylanilino)-1,9-Dimethyldibenzo[B,D]Furan-3,7-Dione

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Properties Simple | Detailed

Formula C28H26N2O7
IUPAC Name 1,9-dimethyl-2-[(2-methyl-4,6-dioxo-cyclohex-2-en-1-yl)amino]-8-[(2-methylene-4,6-dioxo-cyclohexyl)amino]-4,6-dihydrodibenzofuran-4,6-diide-3,7-dione
Molecular Mass 502.515 g·mol−1
Heat of Formation 1450.3 ± 16.7 kJ·mol−1
Dipole Moment 2.29 ± 1.08 D
Volume 537.12 Å 3
Surface Area 428.37 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -3.13 ± eV
Point Group Symmetry C2
Synonyms
  • 2,8-bis[(2,4-dihydroxy-6-methyl-phenyl)amino]-1,9-dimethyl-dibenzofuran-3,7-dione
  • 2,8-bis[(2,4-dihydroxy-6-methyl-phenyl)amino]-1,9-dimethyl-dibenzofuran-3,7-quinone
  • 2,8-bis[(2,4-dihydroxy-6-methylphenyl)amino]-1,9-dimethyldibenzofuran-3,7-dione
  • 3,7-dibenzofurandione, 2,8-bis[(2,4-dihydroxy-6-methylphenyl)amino]-9a,9b-dihydro-1,9-dimethyl-
  • orcein
  • pacein
CAS Number(s)
  • 220751-92-8
  • 1400-62-0
InChIKey VPEASJIRGSVXBF-UHFFFAOYSA-N
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