Skip Navigation Links
ScientificNameLabel
paeonol
PHCD compound ID : 4757
Chemical Names :
paeonol
Molecular Formula : C9H10O3
Molecular Weight : 166.062994
More Details :
Names & Synonyms: 1-(2-hydroxy-4-methoxy-phenyl)ethanone , 1-(2-hydroxy-4-methoxyphenyl)ethanone , 1-(4-methoxy-2-oxidanyl-phenyl)ethanone
Smiles: COc1ccc(c(c1)O)C(=O)C
InChi : InChI=1S/C9H10O3/c1-6(10)8-4-3-7(12-2)5-9(8)11/h3-5,11H,1-2H3
InChi Key : InChIKey=UILPJVPSNHJFIK-UHFFFAOYSA-N
PubChem ID : 11092
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.394710
Hydrogen bond donor count : 1 Electric dipole moment : 5.329
XLogP : 1.199 VDW volume : 156.788707
Molecular weight : 166.062994 HOMO-LUMO gap : 8.827000
Herb list :
Refrences & Litretures:
  
753.      Journal:'Journal of Essential Oil Research'      Year:'2006'      Volume:'18'      Page:'508'      DOI:'org/10.1080/10412905.2006.9699155'      Title:'Identification of the Key Aroma Compounds in Dried Roots of Isatis tinctoria'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us