4-[Amino(Hydroxyamino)Methylene]-2,6-Dihydroxy-2,5-Cyclohexadien-1-One

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Formula C7H8N2O4
IUPAC Name 4-[amino-(hydroxyamino)methylene]-2,6-dihydroxy-cyclohexa-2,5-dien-1-one
Molecular Mass 184.149 g·mol−1
Heat of Formation -367.6 ± 16.7 kJ·mol−1
Dipole Moment 8.68 ± 1.08 D
Volume 197.92 Å 3
Surface Area 197.3 Å 2
HOMO Energy -7.93 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 3,4,5-trihydroxybenzamidoxamic acid
  • 4-[amino-(hydroxyamino)methylene]-2,6-dihydroxy-1-cyclohexa-2,5-dienone
  • 4-[amino-(hydroxyamino)methylidene]-2,6-dihydroxy-cyclohexa-2,5-dien-1-one
  • 4-[amino-(hydroxyamino)methylidene]-2,6-dihydroxycyclohexa-2,5-dien-1-one
  • benzenecarboximidamide, n,3,4,5-tetrahydroxy-
  • td
  • trimidox
CAS Number(s)
  • 95933-74-7
InChIKey XNZIUZXTCXGBPF-UHFFFAOYSA-N
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