(5S)-9-Methoxy-3,4,5-Trimethyl-5,6-Dihydronaphtho[2,3-B]Furan

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Properties Simple | Detailed

Formula C16H18O2
IUPAC Name (5s)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f]benzofuran
Molecular Mass 242.313 g·mol−1
Heat of Formation -179.8 ± 16.7 kJ·mol−1
Dipole Moment 1.79 ± 1.08 D
Volume 297.65 Å 3
Surface Area 264.73 Å 2
HOMO Energy -8.04 ± 0.55 eV
LUMO Energy -0.21 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-5,6-dihydro-9-methoxy-3,4,5-trimethylnaphtho(2,3-b)furan
  • (5s)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f][1]benzoxole
  • (5s)-9-methoxy-3,4,5-trimethyl-5,6-dihydrobenzo[f]benzofuran
  • cacalohastin
  • cacalohastine
  • naphtho(2,3-b)furan, 5,6-dihydro-9-methoxy-3,4,5-trimethyl-, (+-)-
CAS Number(s)
  • 52078-95-2
InChIKey WCJNJWNPAYBQPW-VIFPVBQESA-N
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