Dihydrocubebin

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Properties Simple | Detailed

Formula C20H22O6
IUPAC Name (2r,3r)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
Molecular Mass 358.385 g·mol−1
Heat of Formation -789.1 ± 16.7 kJ·mol−1
Dipole Moment 2.80 ± 1.08 D
Volume 422.0 Å 3
Surface Area 360.75 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol
  • 1,4-butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (r*,r*)-(-)-
  • 1,4-butanediol, 2,3-bis(1,3-benzodioxol-5-ylmethyl)-, (r-(r*,r*))-
CAS Number(s)
  • 24563-03-9
InChIKey JKCVMTYNARDGET-HOTGVXAUSA-N
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