4-{(2R,3R)-3-(Hydroxymethyl)-7-[(1E)-3-Hydroxy-1-Propen-1-Yl]-2,3-Dihydro-1,4-Benzodioxin-2-Yl}-1,2-Benzenediol

Molecule SVG Image

Properties Simple | Detailed

Formula C18H18O6
IUPAC Name 4-[(2r,3r)-2-(hydroxymethyl)-6-[(e)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-3-yl]benzene-1,2-diol
Molecular Mass 330.332 g·mol−1
Heat of Formation -797.0 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 375.79 Å 3
Surface Area 340.06 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 4-(2,3-dihydro-3-(hydroxymethyl)-7-(3-hydroxy-1-propenyl)-1,4-benzodioxin-2-yl)-, (2alpha,3beta,7(e))-
  • 4-[(2r,3r)-3-(hydroxymethyl)-7-[(e)-3-hydroxyprop-1-enyl]-2,3-dihydro-1,4-benzodioxin-2-yl]benzene-1,2-diol
  • 4-[(2r,3r)-7-[(e)-3-hydroxyprop-1-enyl]-3-methylol-2,3-dihydro-1,4-benzodioxin-2-yl]pyrocatechol
CAS Number(s)
  • 133838-66-1
InChIKey PPZYUSOIUGJLFB-ZHEVZCJESA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O