5-Butyl-2H-1,3-Oxazine-2,6(3H)-Dione

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Properties Simple | Detailed

Formula C8H12NO3++
IUPAC Name 5-butyl-3h-1,3-oxazine-2,6-dione
Molecular Mass 170.186 g·mol−1
Heat of Formation -527.8 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 203.05 Å 3
Surface Area 203.45 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy -0.88 ± eV
Point Group Symmetry C1
Synonyms
  • 2h-1,3-oxazine-2,6(3h)-dione, 5-butyl-, (oc-6-11)-
  • 5-butyl-3h-1,3-oxazine-2,6-quinone
  • b-1,3-od
CAS Number(s)
  • 89509-90-0
InChIKey BEURUKGCJLVODR-UHFFFAOYSA-N
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