(4E)-4-[Amino(Hydroxyamino)Methylene]-2-Hydroxy-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C7H8N2O3+
IUPAC Name (4e)-4-[amino-(hydroxyamino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
Molecular Mass 168.150 g·mol−1
Heat of Formation -204.6 ± 16.7 kJ·mol−1
Dipole Moment 9.03 ± 1.08 D
Volume 186.41 Å 3
Surface Area 187.92 Å 2
HOMO Energy -8.12 ± 0.55 eV
LUMO Energy -1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (4e)-4-[amino-(hydroxyamino)methylene]-2-hydroxy-1-cyclohexa-2,5-dienone
  • (4e)-4-[amino-(hydroxyamino)methylene]-2-hydroxy-cyclohexa-2,5-dien-1-one
  • (4e)-4-[amino-(hydroxyamino)methylidene]-2-hydroxy-cyclohexa-2,5-dien-1-one
  • (4e)-4-[amino-(hydroxyamino)methylidene]-2-hydroxycyclohexa-2,5-dien-1-one
  • benzenecarboximidamide, n,3,4-trihydroxy-
  • n,3,4-trihydroxybenzenecarboximidamide
  • vf 236
CAS Number(s)
  • 95933-72-5
  • 125199-74-8
InChIKey UYRMXZIBPZVBNO-QPJJXVBHSA-N
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