Skip Navigation Links
ScientificNameLabel
Sinapic aldehyde
PHCD compound ID : 4796
Chemical Names :
Sinapic aldehyde
Molecular Formula : C11H12O4
Molecular Weight : 208.073559
More Details :
Names & Synonyms: (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 , (E)-3-(3,5-dimethoxy-4-oxidanyl-phenyl)prop-2-enal , (E)-3-(4-hydroxy-3,5-dimethoxy-phenyl)acrolein
Smiles: COc1cc(/C=C/C=O)cc(c1O)OC
InChi : InChI=1S/C11H12O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-7,13H,1-2H3/b4-3+
InChi Key : InChIKey=CDICDSOGTRCHMG-ONEGZZNKSA-N
PubChem ID : 5280802
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.644941
Hydrogen bond donor count : 1 Electric dipole moment : 3.405
XLogP : 1.101 VDW volume : 197.534444
Molecular weight : 208.073559 HOMO-LUMO gap : 7.781000
Herb list :
Refrences & Litretures:
  
772.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2012'      Volume:'15'      Page:'964'      DOI:'10.1080/0972060X.2012.10662600'      Title:'Difference in Essential Oil Composition of Rhizome of Polygonum bistorta L. from Different Asian Regions and Evaluation of its Antibacterial Activity'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us