2,3,4-Trihydroxy-2,4,6-Cycloheptatrien-1-One

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Properties Simple | Detailed

Formula C7H6O4
IUPAC Name 2,3,4-trihydroxycyclohepta-2,4,6-trien-1-one
Molecular Mass 154.120 g·mol−1
Heat of Formation -500.0 ± 16.7 kJ·mol−1
Dipole Moment 3.52 ± 1.08 D
Volume 164.01 Å 3
Surface Area 165.91 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy 1.81 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4-trihydroxy-1-cyclohepta-2,4,6-trienone
  • 2,4,6-cycloheptatrien-1-one, 2,3,4-trihydroxy-
  • 2,4,6-cycloheptatrien-1-one, 2,3,7-trihydroxy-
  • 3,7-dihydroxytropolone
  • bmy 28438
  • bmy-28438
CAS Number(s)
  • 85233-29-0
InChIKey HQLHJCFATKAUSO-UHFFFAOYSA-N
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