(4As,10Bs)-4-Propyl-3,4,4A,10B-Tetrahydro-2H,5H-Chromeno[4,3-B][1,4]Oxazin-9-Ol

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Properties Simple | Detailed

Formula C14H19NO3
IUPAC Name (4s,4as,10bs)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol
Molecular Mass 249.306 g·mol−1
Heat of Formation -418.6 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 299.11 Å 3
Surface Area 273.25 Å 2
HOMO Energy -8.47 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (4as,10bs)-4-propyl-3,4a,5,10b-tetrahydro-2h-chromeno[4,3-b][1,4]oxazin-9-ol
  • 2h,5h-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol, 3,4,4a,10b-tetrahydro-4-propyl-, (4ar,10br)-rel-
  • 2h,5h-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol, 3,4,4a,10b-tetrahydro-4-propyl-, trans-(+-)-
  • 3,4,4a,10b-tetrahydro-4-propyl-2h,5h-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol
  • pbpo
  • pbto
  • pdsp2_000627
  • trans-(+-)-3,4,4a,10b-tetrahydro-4-propyl-2h,5h-(1)benzopyrano(4,3-b)-1,4-oxazin-9-ol
CAS Number(s)
  • 123594-64-9
InChIKey YOILXOMTHPUMRG-JSGCOSHPSA-N
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