Apocynin

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Properties Simple | Detailed

Formula C9H10O3
IUPAC Name 1-(4-hydroxy-3-methoxy-phenyl)ethanone
Molecular Mass 166.174 g·mol−1
Heat of Formation -421.6 ± 16.7 kJ·mol−1
Dipole Moment 3.47 ± 1.08 D
Volume 197.09 Å 3
Surface Area 195.07 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy 2.44 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(4-hydroxy-3-methoxyphenyl)ethan-1-one
  • 1-(4-hydroxy-3-methoxyphenyl)ethanone
  • 3-methoxy-4-hydroxyacetophenone
  • 4′-hydroxy-3′-methoxyacetophenone
  • 4'-hydroxy-3'-methoxyacetophenone
  • 4-acetyl-2-methoxyphenol
  • 4-hydroxy-3-methoxyacetophenone
  • 4-hydroxy-3-methoxyphenyl methyl ketone
  • aa-504/20839006
  • acetoguaiacon
  • acetoguaiacone
  • acetophenone, 4'-hydroxy-3'-methoxy-
  • acetophenone,4-hydroxy,3-methoxy acetovanillon
  • acetovanillon
  • acetovanillone
  • acetovanilone
  • acetovanyllon
  • apocynine
  • ethanone, 1-(4-hydroxy-3-methoxyphenyl)-
CAS Number(s)
  • 498-02-2
InChIKey DFYRUELUNQRZTB-UHFFFAOYSA-N
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