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ScientificNameLabel
Methylundecanoate
PHCD compound ID : 3131
Chemical Names :
Methylundecanoate , Methyl undecanoate
Molecular Formula : C12H24O2
Molecular Weight : 200.17763
More Details :
Names & Synonyms: methyl undecanoate , undecanoic acid methyl ester
Smiles: CCCCCCCCCCC(=O)OC
InChi : InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3
InChi Key : InChIKey=XPQPWPZFBULGKT-UHFFFAOYSA-N
PubChem ID : 15607
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 10.789968
Hydrogen bond donor count : 0 Electric dipole moment : 1.737
XLogP : 5.046 VDW volume : 231.052269
Molecular weight : 200.17763 HOMO-LUMO gap : 11.917000
Herb list :
Refrences & Litretures:
  
426.      Journal:'Jordan Journal of Biological Sciences'      Year:'2015'      Volume:'8'      Page:'139'      DOI:''      Title:'The Chemical Composition and the Antibacterial Properties of Ruta graveolens L. Essential Oil Grown in Northern Jordan'
704.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2015'      Volume:'5'      Page:'1'      DOI:''      Title:'Chemical Composition and Antimicrobial Activity of the Essential Oil of Eugenia caryophyllata Cloves Extracted by Conventional and Microwave Techniques'
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