(2E)-3-[(2R,3R)-2-(3,4-Dihydroxyphenyl)-3-(Hydroxymethyl)-2,3-Dihydro-1,4-Benzodioxin-6-Yl]Prop-2-Enal

Molecule SVG Image

Properties Simple | Detailed

Formula C18H16O6
IUPAC Name (e)-3-[(2r,3r)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Molecular Mass 328.316 g·mol−1
Heat of Formation -726.5 ± 16.7 kJ·mol−1
Dipole Moment 6.39 ± 1.08 D
Volume 371.73 Å 3
Surface Area 334.87 Å 2
HOMO Energy -9.03 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-3-[(2r,3r)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-7-yl]prop-2-enal
  • (e)-3-[(2r,3r)-3-(3,4-dihydroxyphenyl)-2-methylol-2,3-dihydro-1,4-benzodioxin-7-yl]acrolein
InChIKey NTXXGPYGMQQSML-ZHEVZCJESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O