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ScientificNameLabel
Chavicol acetate
PHCD compound ID : 5085
Chemical Names :
Chavicol acetate
Molecular Formula : C11H12O2
Molecular Weight : 176.08373
More Details :
Names & Synonyms: (4-allylphenyl) acetate , acetic acid (4-prop-2-enylphenyl) ester , (4-prop-2-enylphenyl) acetate , (4-prop-2-enylphenyl) ethanoate , acetic acid (4-allylphenyl) ester
Smiles: C=CCc1ccc(cc1)OC(=O)C
InChi : InChI=1S/C11H12O2/c1-3-4-10-5-7-11(8-6-10)13-9(2)12/h3,5-8H,1,4H2,2H3
InChi Key : InChIKey=AXHHVVBUOKYKJO-UHFFFAOYSA-N
PubChem ID : 523825
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.395761
Hydrogen bond donor count : 0 Electric dipole moment : 1.927
XLogP : 2.385 VDW volume : 179.953991
Molecular weight : 176.08373 HOMO-LUMO gap : 9.456000
Herb list :
Refrences & Litretures:
  
792.      Journal:'Food Sci. Technol. Res'      Year:'7'      Volume:'303'      Page:'2001'      DOI:'10.3136/fstr.7.303'      Title:'Volatile Components of the Essential Oils in Galanga (Alpinia of?cinarum Hance) from Vietnam'
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