(2S,3S)-2-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-3,7-Dihydroxy-2,3-Dihydro-4H-Chromen-4-One

Molecule SVG Image

Properties Simple | Detailed

Formula C17H14O6
IUPAC Name (2s,3s)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,7-dihydroxy-chroman-4-one
Molecular Mass 314.289 g·mol−1
Heat of Formation -780.3 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 335.82 Å 3
Surface Area 304.16 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.75 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-(2,3-dihydro-1,4-benzodioxin-7-yl)-3,7-dihydroxy-4-chromanone
  • (2s,3s)-2-(2,3-dihydro-1,4-benzodioxin-7-yl)-3,7-dihydroxy-chroman-4-one
  • (2s,3s)-2-(2,3-dihydro-1,4-benzodioxin-7-yl)-3,7-dihydroxychroman-4-one
  • 3,7-dhbco
  • 3,7-dihydroxy-2-(1,4-benzodioxan-6-yl)chroman-4-one
  • 4h-1-benzopyran-4-one, 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-3,7-dihydroxy-, trans-
CAS Number(s)
  • 79986-03-1
InChIKey MGDQKWLRSIIJEI-SJORKVTESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O