Purpurogallin

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Properties Simple | Detailed

Formula C11H8O5
IUPAC Name 2,3,4,5-tetrahydroxybenzo[7]annulen-6-one
Molecular Mass 220.178 g·mol−1
Heat of Formation -561.9 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 229.31 Å 3
Surface Area 216.56 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 1.32 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2,3,9-tetrahydroxy-8-benzo[7]annulenone
  • 1,2,3,9-tetrahydroxybenzo[7]annulen-8-one
  • 2,3,4,6-tetrahydroxy-5h-benzo[7]annulen-5-one
  • 2,3,4,6-tetrahydroxy-5h-benzo[a]cyclohepten-5-one
  • 5h-benzocyclohepten-5-one, 2,3,4,6-tetrahydroxy-
  • bb_nc-0241
  • oprea1_685478
  • sdccgmls-0066536.p001
CAS Number(s)
  • 569-77-7
InChIKey WDGFFVCWBZVLCE-UHFFFAOYSA-N
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