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ScientificNameLabel
3-Hexen-1-ol
PHCD compound ID : 1079
Chemical Names :
3-Hexen-1-ol , hex-3-en-1-ol
Molecular Formula : C6H12O1
Molecular Weight : 100.088815
More Details :
Names & Synonyms: hex-3-en-1-ol , 3-hexen-1-ol
Smiles: OCC/C=C/CC
InChi : InChI=1S/C6H12O/c1-2-3-4-5-6-7/h3-4,7H,2,5-6H2,1H3/b4-3+
InChi Key : InChIKey=UFLHIIWVXFIJGU-ONEGZZNKSA-N
PubChem ID : 10993
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.879615
Hydrogen bond donor count : 1 Electric dipole moment : 2.009
XLogP : 1.473 VDW volume : 118.486134
Molecular weight : 100.088815 HOMO-LUMO gap : 10.786000
Herb list :
Refrences & Litretures:
  
111.      Journal:'Pharmaceutical sciences'      Year:'2013'      Volume:'18'      Page:'187'      DOI:''      Title:'Chemical Composition and Antinociceptive Effect of the Essential Oil of Dracocephalum moldavica L'
530.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'3840'      DOI:'10.1021/jf021187b'      Title:'Sensory and Instrumental Evaluation of Catnip (Nepeta cataria L.) Aroma'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
723.      Journal:'Songklanakarin J. Sci. Technol'      Year:'2014'      Volume:'36'      Page:'83'      DOI:''      Title:'Chemical composition and antimicrobial activity of peppermint (Mentha piperita L.) Essential oil'
840.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2003'      Volume:'2'      Page:'39'      DOI:''      Title:'Volatile Constituents from the Aerial Parts of Verbena Officinalis L. (Vervain)'
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