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ScientificNameLabel
Hexyl benzoate
PHCD compound ID : 1550
Chemical Names :
Hexyl benzoate , n-Hexyl benzoate
Molecular Formula : C13H18O2
Molecular Weight : 206.13068
More Details :
Names & Synonyms: hexyl benzoate , benzoic acid hexyl ester
Smiles: CCCCCCOC(=O)c1ccccc1
InChi : InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
InChi Key : InChIKey=UUGLJVMIFJNVFH-UHFFFAOYSA-N
PubChem ID : 23235
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.123571
Hydrogen bond donor count : 0 Electric dipole moment : 2.297
XLogP : 3.791 VDW volume : 217.182419
Molecular weight : 206.13068 HOMO-LUMO gap : 9.562000
Herb list :
Refrences & Litretures:
  
171.      Journal:'Med Aromat Plants'      Year:'2012'      Volume:'1'      Page:'1000e134'      DOI:'10.4172/2167-0412.1000e134'      Title:'Chemical Composition of the Essential Oil of Quince (Cydonia Oblonga Miller) Leaves'
444.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1993'      Volume:'8'      Page:'209'      DOI:'10.1002/ffj.2730080408'      Title:'The Essential Oil of Rhus coriaria L. Fruits'
462.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2012'      Volume:''      Page:'6497272'      DOI:'10.1155/2012/649727'      Title:'Chemical Composition and In Vitro Cytotoxic Activity of Essential Oil of Leaves of Malus domestica Growing in Western Himalaya (India)'
874.      Journal:'CHEMIJA'      Year:'2007'      Volume:'18'      Page:'44'      DOI:''      Title:'Influence of urban environment on chemical composition of essential oil of Tilia cordata'
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