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

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Properties Simple | Detailed

Formula C7H7NO3
IUPAC Name (4e)-2-hydroxy-4-[(hydroxyamino)methylene]cyclohexa-2,5-dien-1-one
Molecular Mass 153.135 g·mol−1
Heat of Formation -195.9 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 172.92 Å 3
Surface Area 178.15 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy 1.62 ± eV
Point Group Symmetry C1
Synonyms
  • (4e)-2-hydroxy-4-[(hydroxyamino)methylene]-1-cyclohexa-2,5-dienone
  • (4e)-2-hydroxy-4-[(hydroxyamino)methylene]cyclohexa-2,5-dien-1-one
  • (4e)-2-hydroxy-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one
  • 2-hydroxy-4-[(hydroxyamino)methylene]-1-cyclohexa-2,5-dienone
  • 2-hydroxy-4-[(hydroxyamino)methylene]cyclohexa-2,5-dien-1-one
  • 2-hydroxy-4-[(hydroxyamino)methylidene]cyclohexa-2,5-dien-1-one
  • 3,4-dihydroxybenzaldehyde oxime
  • 3,4-dihydroxybenzaldoxime
  • benzaldehyde, 3,4-dihydroxy-, oxime
CAS Number(s)
  • 3343-59-7
InChIKey XQTLVFXPCMGDOB-SNAWJCMRSA-N
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