Sinapyl Aldehyde

Molecule SVG Image

Properties Simple | Detailed

Formula C11H12O4
IUPAC Name (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal
Molecular Mass 208.211 g·mol−1
Heat of Formation -456.6 ± 16.7 kJ·mol−1
Dipole Moment 3.40 ± 1.08 D
Volume 247.91 Å 3
Surface Area 242.87 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -0.86 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal
  • (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)acrylaldehyde
  • (2e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
  • (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein
  • (e)-3-(4-hydroxy-3,5-dimethoxy-phenyl)prop-2-enal
  • (e)-3-(4-hydroxy-3,5-dimethoxyphenyl)-2-propenal
  • (e)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
  • 2-propenal, 3-(4-hydroxy-3,5-dimethoxyphenyl)-, (e)-
  • 3,5-dimethoxy-4-hydroxycinnamaldehyde
  • 3,5-dimethoxy-4-hydroxycinnamaldehyde (e)
  • 3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein
  • 3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enal
  • megxp0_001085
  • sinapaldehyde
  • sinapinaldehyde
  • sinapoyl aldehyde
CAS Number(s)
  • 4206-58-0
InChIKey CDICDSOGTRCHMG-ONEGZZNKSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O