4-Isocymobarbatol

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Properties Simple | Detailed

Formula C16H20Br2O2
IUPAC Name (7s,8as,10as)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol
Molecular Mass 404.137 g·mol−1
Heat of Formation -383.9 ± 16.7 kJ·mol−1
Dipole Moment 1.03 ± 1.08 D
Volume 370.45 Å 3
Surface Area 305.2 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.35 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,8as,10as)-3,7-dibromo-8,8,10a-trimethyl-6,7,8a,9-tetrahydro-5h-xanthen-2-ol
CAS Number(s)
  • 124962-12-5
InChIKey ALTFOIOEOXFNOO-DZKIICNBSA-N
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Elements H C O Br