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ScientificNameLabel
Methyl tridecanoate
PHCD compound ID : 3827
Chemical Names :
Tridecanoic acid, methyl ester , Methyl tridecanoate
Molecular Formula : C14H28O2
Molecular Weight : 228.20893
More Details :
Names & Synonyms: methyl tridecanoate , tridecanoic acid methyl ester
Smiles: CCCCCCCCCCCCC(=O)OC
InChi : InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3
InChi Key : InChIKey=JNDDPBOKWCBQSM-UHFFFAOYSA-N
PubChem ID : 15608
Rotatable bond count : 12 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.781859
Hydrogen bond donor count : 0 Electric dipole moment : 1.735
XLogP : 6.184 VDW volume : 265.644238
Molecular weight : 228.20893 HOMO-LUMO gap : 11.908000
Herb list :
Refrences & Litretures:
  
515.      Journal:'World J. Agric. Sci'      Year:'2009'      Volume:'5'      Page:'572'      DOI:''      Title:'Analysis of Phytochemical Constituents and Antimicrobial Activities of Aloe vera L. Against Clinical Pathogens'
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)'
888.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1996'      Volume:'11'      Page:'57'      DOI:'10.1002/(SICI)1099-1026(199601)11:1<57::AID-FFJ549>3.0.CO;2-K'      Title:'Volatile Components of the Rhizomes of Rheum palmatum L'
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