2-Hydroxy-3-Iodo-6-Isopropyl-2,4,6-Cycloheptatrien-1-One

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Properties Simple | Detailed

Formula C10H11IO2
IUPAC Name 2-hydroxy-3-iodo-6-isopropyl-cyclohepta-2,4,6-trien-1-one
Molecular Mass 290.098 g·mol−1
Heat of Formation -130.6 ± 16.7 kJ·mol−1
Dipole Moment 3.33 ± 1.08 D
Volume 248.98 Å 3
Surface Area 230.0 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.74 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-7-iodo-4-(1-methylethyl)-, (s)-
  • 2-hydroxy-3-iodo-6-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-3-iodo-6-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3-iodo-6-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 7-iodohinokitiol
CAS Number(s)
  • 30595-86-9
  • 32659-57-7
InChIKey CJDIEWJAGORBGQ-UHFFFAOYSA-N
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