(3R)-3-(2,4-Dimethoxyphenyl)-7-Chromanol

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Properties Simple | Detailed

Formula C17H18O4
IUPAC Name (3r)-3-(2,4-dimethoxyphenyl)chroman-7-ol
Molecular Mass 286.322 g·mol−1
Heat of Formation -521.7 ± 16.7 kJ·mol−1
Dipole Moment 4.07 ± 1.08 D
Volume 337.65 Å 3
Surface Area 309.19 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy 0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-sativan
  • (3r)-3-(2,4-dimethoxyphenyl)chroman-7-ol
  • 2h-1-benzopyran-7-ol, 3-(2,4-dimethoxyphenyl)-3,4-dihydro-, (3r)-
  • sativan
  • sativin (alfalfa)
CAS Number(s)
  • 41743-86-6
InChIKey TUXCLJQCYVCGDW-LBPRGKRZSA-N
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