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ScientificNameLabel
(Z)-Isoeugenol acetate
PHCD compound ID : 3356
Chemical Names :
(Z)-Isoeugenol acetate
Molecular Formula : C12H14O3
Molecular Weight : 206.094294
More Details :
Names & Synonyms: [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] acetate , acetic acid [2-methoxy-4-[(Z)-prop-1-enyl]phenyl] ester , [2-methoxy-4-[(Z)-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-PLNGDYQASA-N
PubChem ID : 1715136
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.752028
Hydrogen bond donor count : 0 Electric dipole moment : 2.936
XLogP : 2.545 VDW volume : 206.040202
Molecular weight : 206.094294 HOMO-LUMO gap : 8.828000
Herb list :
Refrences & Litretures:
  
456.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'781'      DOI:'10.1080/0972060X.2013.813275'      Title:'Chemical Composition of the Essential Oil of Nigella sativa Seeds Extracted by Microwave Steam Distillation'
459.      Journal:'Flavour Fragr. J'      Year:'2007'      Volume:'22'      Page:'148'      DOI:'10.1002/ffj.1773'      Title:'Chemical composition of seed essential oils from Algerian Nigella sativa extracted by microwave and hydrodistillation'
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