1,6,8-Trihydroxy-3-Methyl-9,10-Dioxo-9,10-Dihydro-2-Anthracenecarboxylic Acid

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Properties Simple | Detailed

Formula C16H10O7
IUPAC Name 1,6,8-trihydroxy-3-methyl-9,10-dioxo-anthracene-2-carboxylic acid
Molecular Mass 314.246 g·mol−1
Heat of Formation -1037.6 ± 16.7 kJ·mol−1
Dipole Moment 4.33 ± 1.08 D
Volume 323.83 Å 3
Surface Area 291.66 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.93 ± eV
Point Group Symmetry C1
Synonyms
  • 1,6,8-trihydroxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid
  • 1,6,8-trihydroxy-3-methyl-9,10-dioxoanthracene-2-carboxylic acid
  • 1,6,8-trihydroxy-9,10-diketo-3-methyl-anthracene-2-carboxylic acid
  • 9,10-dihydro-1,6,8-trihydroxy-3-methyl-9,10-dioxo-2-anthracenecarboxylic acid
  • acon1_001814
  • endocrocin
CAS Number(s)
  • 481-70-9
InChIKey UZOHDKGTYVTYDZ-UHFFFAOYSA-N
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