(2E)-4-(4,5-Dihydroxy-10-Oxo-9,10-Dihydro-9-Anthracenyl)-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C18H12O6
IUPAC Name (e)-4-(4,5-dihydroxy-10-oxo-9h-anthracen-9-yl)-4-oxo-but-2-enoic acid
Molecular Mass 324.284 g·mol−1
Heat of Formation -769.7 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 353.11 Å 3
Surface Area 314.61 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-4-(4,5-dihydroxy-10-keto-9h-anthracen-9-yl)-4-keto-but-2-enoic acid
  • (e)-4-(4,5-dihydroxy-10-oxo-9h-anthracen-9-yl)-4-oxo-but-2-enoic acid
  • (e)-4-(4,5-dihydroxy-10-oxo-9h-anthracen-9-yl)-4-oxobut-2-enoic acid
  • 2-butenoic acid, 4-(9,10-dihydro-4,5-dihydroxy-10-oxo-9-anthracenyl)-4-oxo-, (e)-
  • fumaryl dithranol
  • fumaryldithranol
CAS Number(s)
  • 125379-01-3
InChIKey SQKDGIODDXHOGU-BQYQJAHWSA-N
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