2-Methoxy-5-Nitrotropone

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Properties Simple | Detailed

Formula C8H7NO4
IUPAC Name 2-methoxy-5-nitro-cyclohepta-2,4,6-trien-1-one
Molecular Mass 181.145 g·mol−1
Heat of Formation -135.7 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 198.56 Å 3
Surface Area 193.63 Å 2
HOMO Energy -9.76 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methoxy-5-nitro-1-cyclohepta-2,4,6-trienone
  • 2-methoxy-5-nitro-2,4,6-cycloheptatrien-1-one
  • 2-methoxy-5-nitro-cyclohepta-2,4,6-trienone
  • 2-methoxy-5-nitrocyclohepta-2,4,6-trien-1-one
  • bas 01280714
CAS Number(s)
  • 14628-90-1
InChIKey SRVBIVSFLVFSAB-UHFFFAOYSA-N
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