Rel-(1R,3R,4S)-3-Methyl-3,4-Dihydro-1H-1,4-Epoxy-2-Benzoxocin-10-Ol

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Properties Simple | Detailed

Formula C12H12O3
IUPAC Name rel-(1r,3r,4s)-3-methyl-3,4-dihydro-1h-1,4-epoxy-2-benzoxocin-10-ol
Molecular Mass 204.222 g·mol−1
Heat of Formation -358.0 ± 16.7 kJ·mol−1
Dipole Moment 2.95 ± 1.08 D
Volume 232.03 Å 3
Surface Area 213.06 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-epoxy-1h-2-benzoxocin-10-ol, 3,4-dihydro-3-methyl-, (1r,3r,4s)-
  • 11-methyl-12,13-dioxa-tricyclo[8.2.1.0^(2,7)]trideca-2(7),3,5,8-tetraen-3-ol
  • cladoacetal a
InChIKey MQNPAODYALMZAI-INNHCVQGSA-N
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Elements H C O