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ScientificNameLabel
Geranyl propanoate
PHCD compound ID : 828
Chemical Names :
Geranyl N-propanoate , Geranyl n-propionate , Geranyl propanoate , Geranyl-n propionate , Geranyl propionate
Molecular Formula : C13H22O2
Molecular Weight : 210.16198
More Details :
Names & Synonyms: [(2E)-3,7-dimethylocta-2,6-dienyl] propanoate , propanoic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester , propionic acid [(2E)-3,7-dimethylocta-2,6-dienyl] ester
Smiles: CCC(=O)OC/C=C(/CCC=C(C)C)\C
InChi : InChI=1S/C13H22O2/c1-5-13(14)15-10-9-12(4)8-6-7-11(2)3/h7,9H,5-6,8,10H2,1-4H3/b12-9+
InChi Key : InChIKey=BYCHQEILESTMQU-FMIVXFBMSA-N
PubChem ID : 5355853
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.104516
Hydrogen bond donor count : 0 Electric dipole moment : 0.921
XLogP : 3.517 VDW volume : 243.075336
Molecular weight : 210.16198 HOMO-LUMO gap : 10.037000
Herb list :
Refrences & Litretures:
  
61.      Journal:'Talanta'      Year:'2008'      Volume:'76'      Page:'878'      DOI:'10.1016/j.talanta.2008.04.050'      Title:'Application of PLE for the determination of essential oil components from Thymus vulgaris L'
73.      Journal:'J. Sep. Sci'      Year:'2009'      Volume:'32'      Page:'3034'      DOI:'10.1002/jssc.200900214'      Title:'Static and dynamic superheated water extraction of essential oil components fromThymus vulgaris L'
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
168.      Journal:'European Journal of Experimental Biology'      Year:'2012'      Volume:'2'      Page:'1771'      DOI:''      Title:'Essential oil content and composition of Lippa citriodora as affected by drying method before flowering stages'
181.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'165'      DOI:'10.1002/ffj.1074'      Title:'Essential oil composition of Achillea millefolium L. growing wild in Kashmir, India'
341.      Journal:'Journal of Brewing and Distilling'      Year:'2011'      Volume:'2'      Page:'16'      DOI:''      Title:'Volatile components of aroma hops (Humulus lupulus L.) commonly used in beer brewing'
342.      Journal:'Sci. Pharm'      Year:'2006'      Volume:'74'      Page:'189'      DOI:'10.3797/scipharm.2006.74.189'      Title:'Antimicrobial testings, gas chromatographic analysis and olfactory evaluation of an essential oil of hop cones (Humulus lupulus L.) from Bavaria and some of its main compounds'
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'
877.      Journal:'Journal of Applied Pharmaceutical Science'      Year:'2014'      Volume:'4'      Page:'1'      DOI:'10.7324/JAPS.2014.40301'      Title:'Chemical composition, antifungal and antioxidant activity of Pelargonium graveolens essential oil'
880.      Journal:'Phytother. Res'      Year:'2013'      Volume:'27'      Page:'1206'      DOI:'10.1002/ptr.4853'      Title:'Chemical composition and biological activities of polar extracts and essential oil of rose-scented geranium, Pelargonium graveolens'
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