4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]-1,2-Benzenediol

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Properties Simple | Detailed

Formula C17H20O5
IUPAC Name 4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2-diol
Molecular Mass 304.338 g·mol−1
Heat of Formation -692.9 ± 16.7 kJ·mol−1
Dipole Moment 1.30 ± 1.08 D
Volume 373.56 Å 3
Surface Area 306.78 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 0.19 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(2-(3,4,5-trimethoxyphenyl)ethyl)-
  • 4-[2-(3,4,5-trimethoxyphenyl)ethyl]pyrocatechol
  • combretastatin b-3
  • combretastatin b3
CAS Number(s)
  • 116518-76-4
InChIKey SFWXNQDSPCKFAW-UHFFFAOYSA-N
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