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ScientificNameLabel
perillyl acetate
PHCD compound ID : 323
Chemical Names :
perillyl acetate
Molecular Formula : C12H18O2
Molecular Weight : 194.13068
More Details :
Names & Synonyms: (4-isopropenylcyclohexen-1-yl)methyl acetate , acetic acid [4-(1-methylethenyl)-1-cyclohexenyl]methyl ester , (4-prop-1-en-2-ylcyclohexen-1-yl)methyl acetate , (4-prop-1-en-2-ylcyclohexen-1-yl)methyl ethanoate , acetic acid (4-isopropenylcyclohexen-1-yl)methyl ester
Smiles: CC(=O)OCC1=CC[C@H](CC1)C(=C)C
InChi : InChI=1S/C12H18O2/c1-9(2)12-6-4-11(5-7-12)8-14-10(3)13/h4,12H,1,5-8H2,2-3H3/t12-/m1/s1
InChi Key : InChIKey=WTXBCFKGCNWPLS-GFCCVEGCSA-N
PubChem ID : 61780
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.453261
Hydrogen bond donor count : 0 Electric dipole moment : 2.502
XLogP : 2.588 VDW volume : 213.422893
Molecular weight : 194.13068 HOMO-LUMO gap : 10.363000
Herb list :
Refrences & Litretures:
  
19.      Journal:'J. Essent. Oil Res'      Year:'1997'      Volume:'9'      Page:'87'      DOI:''      Title:'Chemical Composition of the Essential Oil of Artemisia absinthium L. from Cuba'
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