Chlorokojic Acid

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Properties Simple | Detailed

Formula C6H6ClO3+
IUPAC Name 2-(chloromethyl)-5-hydroxy-pyran-4-one
Molecular Mass 161.563 g·mol−1
Heat of Formation -391.6 ± 16.7 kJ·mol−1
Dipole Moment 4.72 ± 1.08 D
Volume 165.72 Å 3
Surface Area 169.82 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 2.08 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(chloromethyl)-5-hydroxy-4-pyranone
  • 2-(chloromethyl)-5-hydroxypyran-4-one
  • 4h-pyran-4-one, 2-(chloromethyl)-5-hydroxy-
  • 5x-0856
CAS Number(s)
  • 54839-86-0
  • 7559-81-1
InChIKey WSVIQCQIJLDTEK-UHFFFAOYSA-N
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Elements H C O Cl