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ScientificNameLabel
Methyl laurate
PHCD compound ID : 38
Chemical Names :
Methyl dodecanoate , Methyl laurate , Methyl dodcanoate , lauric acid methyl ester
Molecular Formula : C13H26O2
Molecular Weight : 214.19328
More Details :
Names & Synonyms: methyl dodecanoate , dodecanoic acid methyl ester , lauric acid methyl ester
Smiles: CCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C13H26O2/c1-3-4-5-6-7-8-9-10-11-12-13(14)15-2/h3-12H2,1-2H3
InChi Key : InChIKey=UQDUPQYQJKYHQI-UHFFFAOYSA-N
PubChem ID : 8139
Rotatable bond count : 11 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.785421
Hydrogen bond donor count : 0 Electric dipole moment : 1.810
XLogP : 5.615 VDW volume : 248.348254
Molecular weight : 214.19328 HOMO-LUMO gap : 11.912000
Herb list :
Refrences & Litretures:
  
2.      Journal:'Z. Naturforsch'      Year:'2005'      Volume:'60'      Page:'707'      DOI:''      Title:'Antimicrobial Activity and Main Chemical Composition of Two Smoke Condensates from Peganum harmala Seeds'
262.      Journal:'J Sci Food Agric'      Year:'1997'      Volume:'74'      Page:'421'      DOI:''      Title:'Strawberry Flavour: Analysis and Biosynthesis'
432.      Journal:'Journal of Essential Oil Research'      Year:'2003'      Volume:'15'      Page:'191'      DOI:'10.1080/10412905.2003.9712109'      Title:'Volatile Constituents of the Leaves of Ziziphus spinachristi (LmW) illd. from Bushehr, Iran'
535.      Journal:'Journal of Food Composition and Analysis'      Year:'2010'      Volume:'23'      Page:'706'      DOI:'10.1016/j.jfca.2010.02.008'      Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections'
605.      Journal:'J Sci Food Agric'      Year:'2013'      Volume:'93'      Page:'2494'      DOI:'10.1002/jsfa.6065'      Title:'Chemical constituents and anti-ulcerogenic potential of the scales of Cynara scolymus (artichoke) heads'
715.      Journal:'Z Naturforsch C'      Year:'2005'      Volume:'60'      Page:'369'      DOI:''      Title:'Chemical Composition of Hips Essential Oils of Some Rosa L. Species'
773.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2012'      Volume:'9'      Page:'359'      DOI:'10.1002/cbdv.201100326'      Title:'Determination of the Volatile Fraction of Polygonum bistorta L. at Different Growing Stages and Evaluation of Its Antimicrobial Activity against Two Major Honeybee (Apis mellifera) Pathogens'
774.      Journal:'Asian Journal of Chemistry'      Year:'2011'      Volume:'23'      Page:'1940'      DOI:''      Title:'Analysis of the Essential Oil from the Flower of Polygonum bistorta L. subsp. carneum (Koch)'
845.      Journal:'Pak. J. Bot'      Year:'2011'      Volume:'43'      Page:'1351'      DOI:''      Title:'PHYTOCHEMICAL ANALYSIS AND ANTIBACTERIAL ACTIVITY OF ERUCA SATIVA SEED'
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