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(E,Z)-Geranyl linalool
PHCD compound ID : 1803
Chemical Names :
(E,Z)-Geranyl linalool
Molecular Formula : C20H34O1
Molecular Weight : 290.260966
More Details :
Names & Synonyms:
Smiles: C=C[C@@](CC/C=C(/CC/C=C(\CCC=C(C)C)/C)\C)(O)C
InChi : InChI=1S/C20H34O/c1-7-20(6,21)16-10-15-19(5)14-9-13-18(4)12-8-11-17(2)3/h7,11,13,15,21H,1,8-10,12,14,16H2,2-6H3/b18-13-,19-15+/t20-/m0/s1
InChi Key : InChIKey=IQDXAJNQKSIPGB-TWOUZSEPSA-N
PubChem ID :
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 1 Ionization potential : 8.959567
Hydrogen bond donor count : 1 Electric dipole moment : 1.560
XLogP : 6.112 VDW volume : 352.720543
Molecular weight : 290.260966 HOMO-LUMO gap : 10.156000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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