2-Hydroxy-6-Methoxy-2,4,6-Cycloheptatrien-1-One

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Properties Simple | Detailed

Formula C8H8O3
IUPAC Name 2-hydroxy-6-methoxy-cyclohepta-2,4,6-trien-1-one
Molecular Mass 152.147 g·mol−1
Heat of Formation -332.4 ± 16.7 kJ·mol−1
Dipole Moment 3.20 ± 1.08 D
Volume 176.24 Å 3
Surface Area 177.56 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy 2.01 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-3-methoxy-
  • 2-hydroxy-6-methoxy-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-6-methoxycyclohepta-2,4,6-trien-1-one
  • antibiotic xk-100
  • my 3-469
  • xk-100
CAS Number(s)
  • 65425-62-9
InChIKey LCPIUODQEAEATK-UHFFFAOYSA-N
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