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ScientificNameLabel
isoeugenyl acetate
PHCD compound ID : 2198
Chemical Names :
isoeugenyl acetate
Molecular Formula : C12H14O3
Molecular Weight : 206.094294
More Details :
Names & Synonyms: (2-methoxy-4-prop-1-enyl-phenyl) acetate , acetic acid (2-methoxy-4-prop-1-enylphenyl) ester , (2-methoxy-4-prop-1-enylphenyl) acetate , (2-methoxy-4-prop-1-enyl-phenyl) ethanoate , acetic acid (2-methoxy-4-prop-1-enyl-phenyl) ester
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 : 7137
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.680796
Hydrogen bond donor count : 0 Electric dipole moment : 2.398
XLogP : 2.545 VDW volume : 206.040202
Molecular weight : 206.094294 HOMO-LUMO gap : 8.619000
Herb list :
Refrences & Litretures:
  
257.      Journal:'J. Agric. Food Chem'      Year:'2012'      Volume:'60'      Page:'9097'      DOI:'10.1021/jf301800x'      Title:'Antioxidant Activities of Extracts from Teas Prepared from Medicinal Plants, Morus alba L., Camellia sinensis L., and Cudrania tricuspidata, and Their Volatile Components'
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