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ScientificNameLabel
Linalylpropionate
PHCD compound ID : 209
Chemical Names :
Linalyl propionate , Linalylpropionate , Linalyl propanoate
Molecular Formula : C13H22O2
Molecular Weight : 210.16198
More Details :
Names & Synonyms: (1,5-dimethyl-1-vinyl-hex-4-enyl) propanoate , propanoic acid 3,7-dimethylocta-1,6-dien-3-yl ester , 3,7-dimethylocta-1,6-dien-3-yl propanoate , propionic acid (1,5-dimethyl-1-vinyl-hex-4-enyl) ester
Smiles: CCC(=O)O[C@@](CCC=C(C)C)(C=C)C
InChi : InChI=1S/C13H22O2/c1-6-12(14)15-13(5,7-2)10-8-9-11(3)4/h7,9H,2,6,8,10H2,1,3-5H3/t13-/m1/s1
InChi Key : InChIKey=WAQIIHCCEMGYKP-CYBMUJFWSA-N
PubChem ID : 61098
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.247639
Hydrogen bond donor count : 0 Electric dipole moment : 2.426
XLogP : 3.461 VDW volume : 243.075336
Molecular weight : 210.16198 HOMO-LUMO gap : 10.257000
Herb list :
Refrences & Litretures:
  
13.      Journal:'Natural Product Communications'      Year:'2009'      Volume:'4'      Page:'283'      DOI:''      Title:'Antibacterial Activity and Composition of the Essential Oil of Nepeta menthoides from Iran'
167.      Journal:'Industrial Crops and Products'      Year:'2010'      Volume:'31'      Page:'203'      DOI:'10.1016/j.indcrop.2009.10.003'      Title:'Antioxidant activities and chemical composition of essential oil of Pistacia atlantica from Algeria'
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'
350.      Journal:'Flavour Fragr. J'      Year:'2002'      Volume:'17'      Page:'345'      DOI:'10.1002/ffj.1117'      Title:'Comparison of essential oil composition of Iranian fennel (Foeniculum vulgare) obtained by supercritical carbon dioxide extraction and hydrodistillation methods'
829.      Journal:'Czech Journal of Food Sciences'      Year:'2019'      Volume:'37'      Page:'81'      DOI:'10.17221/202/2017-CJFS'      Title:'Chemical composition, antimicrobial and insecticidal activities of the tunisian Citrus aurantium essential oils'
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