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ScientificNameLabel
(2E)-Octenol acetate
PHCD compound ID : 4471
Chemical Names :
(2E)-Octenol acetate , 2-octen-1-ol acetate
Molecular Formula : C10H18O2
Molecular Weight : 170.13068
More Details :
Names & Synonyms: [(E)-oct-2-enyl] acetate , acetic acid [(E)-oct-2-enyl] ester , [(E)-oct-2-enyl] ethanoate
Smiles: CCCCC/C=C/COC(=O)C
InChi : InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+
InChi Key : InChIKey=MBRLTLPMVMFRTJ-BQYQJAHWSA-N
PubChem ID : 5463875
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.858109
Hydrogen bond donor count : 0 Electric dipole moment : 2.180
XLogP : 3.551 VDW volume : 193.823841
Molecular weight : 170.13068 HOMO-LUMO gap : 10.761000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
755.      Journal:'Experimental Parasitology'      Year:'2012'      Volume:'132'      Page:'470'      DOI:'org/10.1016/j.exppara.2012.09.010'      Title:'Identification of chemical constituents and larvicidal activity of Kelussia odoratissima Mozaffarian essential oil against two mosquito vectors Anopheles stephensi and Culex pipiens (Diptera: Culicidae)'
756.      Journal:'Journal of Herbs, Spices & Medicinal Plants'      Year:'2011'      Volume:'17'      Page:'62'      DOI:'10.1080/10496475.2011.560089'      Title:'Chemical Composition of Three Ecotypes of Wild Celery (Kelussia odoratissima)'
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