A-Toxicarol

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Properties Simple | Detailed

Formula C23H22O7
IUPAC Name a-toxicarol
Molecular Mass 410.417 g·mol−1
Heat of Formation -956.0 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 458.46 Å 3
Surface Area 394.27 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • alpha-toxicarol
CAS Number(s)
  • 82-09-7
InChIKey JLTNCZQNGBLBGO-MOPGFXCFSA-N
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Elements H C O