(4E)-4-[Amino(Methoxy)Methylene]-2-Nitro-2,5-Cyclohexadien-1-One

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Properties Simple | Detailed

Formula C8H8N2O4
IUPAC Name (4e)-4-[amino(methoxy)methylene]-2-nitro-cyclohexa-2,5-dien-1-one
Molecular Mass 196.160 g·mol−1
Heat of Formation -168.7 ± 16.7 kJ·mol−1
Dipole Moment 15.00 ± 1.08 D
Volume 211.8 Å 3
Surface Area 209.43 Å 2
HOMO Energy -8.94 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • (4e)-4-(amino-methoxy-methylene)-2-nitro-cyclohexa-2,5-dien-1-one
  • (4e)-4-(amino-methoxy-methylidene)-2-nitro-cyclohexa-2,5-dien-1-one
  • (4e)-4-(amino-methoxymethylene)-2-nitro-1-cyclohexa-2,5-dienone
  • (4e)-4-(amino-methoxymethylidene)-2-nitrocyclohexa-2,5-dien-1-one
  • benzenecarboximidic acid, 4-hydroxy-3-nitro-, methyl ester
  • methyl-4-hydroxy-3-nitrobenzimidate
CAS Number(s)
  • 78200-33-6
InChIKey YTKJGLBCZOBEHV-VMPITWQZSA-N
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