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2-Propeoic,3-(3,4,5 trimethoxy phenyl) methylester
PHCD compound ID : 5125
Chemical Names :
2-Propeoic,3-(3,4,5 trimethoxy phenyl) methylester
Molecular Formula : C13H16O5
Molecular Weight : 252.099774
More Details :
Names & Synonyms: methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate , (E)-3-(3,4,5-trimethoxyphenyl)-2-propenoic acid methyl ester , methyl (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate , (E)-3-(3,4,5-trimethoxyphenyl)acrylic acid methyl ester
Smiles: COC(=O)/C=C/c1cc(OC)c(c(c1)OC)OC
InChi : InChI=1S/C13H16O5/c1-15-10-7-9(5-6-12(14)17-3)8-11(16-2)13(10)18-4/h5-8H,1-4H3/b6-5+
InChi Key : InChIKey=KLXHCGFNNUQTEY-AATRIKPKSA-N
PubChem ID : 735846
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.072363
Hydrogen bond donor count : 0 Electric dipole moment : 3.877
XLogP : 1.662 VDW volume : 240.91664
Molecular weight : 252.099774 HOMO-LUMO gap : 8.340000
Herb list :
Refrences & Litretures:
  
812.      Journal:'Journal of Food Composition and Analysis'      Year:'2005'      Volume:'18'      Page:'439'      DOI:'10.1016/j.jfca.2004.01.003'      Title:'Supercritical ?uid extraction of volatile components from Bunium persicum Boiss. (black cumin) and Mespilus germanica L. (medlar) seeds'
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