(2S)-2-(1,3-Benzodioxol-5-Yl)-7-Chromanol

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Properties Simple | Detailed

Formula C16H14O4
IUPAC Name (2s)-2-(1,3-benzodioxol-5-yl)chroman-7-ol
Molecular Mass 270.280 g·mol−1
Heat of Formation -447.2 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 305.4 Å 3
Surface Area 280.79 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-(1,3-benzodioxol-5-yl)chroman-7-ol
  • 2-benzo[d]1,3-dioxolan-5-ylchroman-7-ol
  • 7-hydroxy-3',4'-(methylenedioxy)flavan
InChIKey DGOAORIWKTZFLK-ZDUSSCGKSA-N
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