Tropolone

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Properties Simple | Detailed

Formula C7H6O2
IUPAC Name 2-hydroxycyclohepta-2,4,6-trien-1-one
Molecular Mass 122.121 g·mol−1
Heat of Formation -131.1 ± 16.7 kJ·mol−1
Dipole Moment 3.90 ± 1.08 D
Volume 144.66 Å 3
Surface Area 150.37 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-
  • 2-hydroxy-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-2,4,6-cycloheptatrien-1-one
  • 2-hydroxycyclohepta-2,4,6-trienone
  • 2-hydroxytropone
  • ci tropolone 8
  • purpurocatechol
CAS Number(s)
  • 533-75-5
InChIKey MDYOLVRUBBJPFM-UHFFFAOYSA-N
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