{4,5-Dihydroxy-3-[(1Z)-1-Hydroxy-3-Oxo-1-Penten-1-Yl]-9,10-Dioxo-9,10-Dihydro-2-Anthracenyl}Acetic Acid

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Properties Simple | Detailed

Formula C21H16O8
IUPAC Name 2-[4,5-dihydroxy-3-[(z)-1-hydroxy-3-oxo-pent-1-enyl]-9,10-dioxo-2-anthryl]acetic acid
Molecular Mass 396.347 g·mol−1
Heat of Formation -1165.5 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 428.5 Å 3
Surface Area 371.92 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4,5-dihydroxy-3-[(z)-1-hydroxy-3-keto-pent-1-enyl]-9,10-diketo-2-anthryl]acetic acid
  • 2-[4,5-dihydroxy-3-[(z)-1-hydroxy-3-oxo-pent-1-enyl]-9,10-dioxo-2-anthryl]acetic acid
  • 2-[4,5-dihydroxy-3-[(z)-1-hydroxy-3-oxo-pent-1-enyl]-9,10-dioxo-anthracen-2-yl]ethanoic acid
  • 2-[4,5-dihydroxy-3-[(z)-1-hydroxy-3-oxopent-1-enyl]-9,10-dioxo-2-anthryl]acetic acid
  • 2-[4,5-dihydroxy-3-[(z)-1-hydroxy-3-oxopent-1-enyl]-9,10-dioxoanthracen-2-yl]acetic acid
  • 2-anthraceneacetic acid, 9,10-dihydro-4,5-dihydroxy-3-(1-hydroxy-3-oxo-1-pentenyl)-9,10-dioxo-
  • aklanonic acid
CAS Number(s)
  • 91432-47-2
InChIKey WTCFRKORYWVLAQ-ZSOIEALJSA-N
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