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ScientificNameLabel
(E)-isoeugenyl acetate
PHCD compound ID : 1609
Chemical Names :
(E)-isoeugenyl acetate
Molecular Formula : C12H14O3
Molecular Weight : 206.094294
More Details :
Names & Synonyms: [2-methoxy-4-[(E)-prop-1-enyl]phenyl] acetate , acetic acid [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ester , [2-methoxy-4-[(E)-prop-1-enyl]phenyl] ethanoate
Smiles: C/C=C/c1ccc(c(c1)OC)OC(=O)C
InChi : InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3/b5-4+
InChi Key : InChIKey=IUSBVFZKQJGVEP-SNAWJCMRSA-N
PubChem ID : 876160
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.696030
Hydrogen bond donor count : 0 Electric dipole moment : 2.312
XLogP : 2.545 VDW volume : 206.040202
Molecular weight : 206.094294 HOMO-LUMO gap : 8.627000
Herb list :
Refrences & Litretures:
  
179.      Journal:'Journal of Essential Oil Research'      Year:'1998'      Volume:'10'      Page:'427'      DOI:'10.1080/10412905.1998.9700934'      Title:'Chemical Composition of the Leaf Oil of Achillea millefolium L. Grown in Cuba'
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