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ScientificNameLabel
Acetoxy linalool
PHCD compound ID : 4803
Chemical Names :
Acetoxy linalool
Molecular Formula : C12H20O3
Molecular Weight : 212.141245
More Details :
Names & Synonyms: [(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienyl] acetate , acetic acid [(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] ester , [(2E)-6-hydroxy-2,6-dimethylocta-2,7-dienyl] acetate , [(2E)-2,6-dimethyl-6-oxidanyl-octa-2,7-dienyl] ethanoate , acetic acid [(2E)-6-hydroxy-2,6-dimethyl-octa-2,7-dienyl] ester
Smiles: C=C[C@](CC/C=C(/COC(=O)C)\C)(O)C
InChi : InChI=1S/C12H20O3/c1-5-12(4,14)8-6-7-10(2)9-15-11(3)13/h5,7,14H,1,6,8-9H2,2-4H3/b10-7+/t12-/m1/s1
InChi Key : InChIKey=BOJXRPGLMTUOEQ-OFFHKIPUSA-N
PubChem ID : 17755054
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.528100
Hydrogen bond donor count : 1 Electric dipole moment : 1.257
XLogP : 1.327 VDW volume : 234.569578
Molecular weight : 212.141245 HOMO-LUMO gap : 10.370000
Herb list :
Refrences & Litretures:
  
775.      Journal:'J. BioSci. Biotech'      Year:'2013'      Volume:'2'      Page:'39'      DOI:''      Title:'Chemical composition and antifungal activity of essential oil of Salvia sclarea L. from Bulgaria against clinical isolates of Candida species'
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