(11As)-7-Hydroxy-1,1,8-Trimethyl-1,2,11,11A-Tetrahydro-10H-Dibenzo[A,D][7]Annulen-10-One

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Properties Simple | Detailed

Formula C18H20O2
IUPAC Name (6as)-2-hydroxy-3,7,7-trimethyl-6a,8-dihydro-6h-dibenzo[2,3-a:3',2'-e][7]annulen-5-one
Molecular Mass 268.350 g·mol−1
Heat of Formation -256.4 ± 16.7 kJ·mol−1
Dipole Moment 4.15 ± 1.08 D
Volume 335.71 Å 3
Surface Area 290.22 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 10h-dibenzo(a,d)cyclohepten-10-one, 1,2,11,11a-tetrahydro-7-hydroxy-1,1,8-trimethyl-, (s)-
  • isoxochitlolone
CAS Number(s)
  • 140670-89-9
InChIKey MPIUDNRLVNSATN-OAHLLOKOSA-N
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