2-Bromo-3-Hydroxy-6-(Hydroxymethyl)-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C6H6BrO4+
IUPAC Name 2-bromo-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Molecular Mass 222.013 g·mol−1
Heat of Formation -519.2 ± 16.7 kJ·mol−1
Dipole Moment 2.84 ± 1.08 D
Volume 181.4 Å 3
Surface Area 184.29 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-3-hydroxy-6-(hydroxymethyl)-4-pyranone
  • 2-bromo-3-hydroxy-6-methylol-pyran-4-one
  • 4h-pyran-4-one, 2-bromo-3-hydroxy-6-(hydroxymethyl)-
CAS Number(s)
  • 40838-32-2
InChIKey XGQIEZNKWVGLRJ-UHFFFAOYSA-N
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Elements H C O Br