(3S)-3-(2,4,5-Trimethoxyphenyl)-7,8-Chromanediol

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Properties Simple | Detailed

Formula C18H20O6
IUPAC Name (3s)-3-(2,4,5-trimethoxyphenyl)chromane-7,8-diol
Molecular Mass 332.348 g·mol−1
Heat of Formation -811.0 ± 16.7 kJ·mol−1
Dipole Moment 3.10 ± 1.08 D
Volume 379.89 Å 3
Surface Area 343.61 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-3-(2,4,5-trimethoxyphenyl)chroman-7,8-diol
  • 2h-1-benzopyran-7,8-diol, 3,4-dihydro-3-(2,4,5-trimethoxyphenyl)-, (s)-
  • 7,8-dihydroxy-2',4',5'-trimethoxyisoflavan
  • cocus i
CAS Number(s)
  • 140455-97-6
InChIKey ZRLWPQMAJQKTFX-LLVKDONJSA-N
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