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ScientificNameLabel
Ethyl heptadecanoate
PHCD compound ID : 553
Chemical Names :
Ethyl heptadecanoate
Molecular Formula : C19H38O2
Molecular Weight : 298.28718
More Details :
Names & Synonyms: ethyl heptadecanoate , heptadecanoic acid ethyl ester
Smiles: CCCCCCCCCCCCCCCCC(=O)OCC
InChi : InChI=1S/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3
InChi Key : InChIKey=KNXMUFRWYNVISA-UHFFFAOYSA-N
PubChem ID : 26397
Rotatable bond count : 17 Rule of five : 2
Hydrogen bond acceptor count : 2 Ionization potential : 10.634799
Hydrogen bond donor count : 0 Electric dipole moment : 1.911
XLogP : 8.883 VDW volume : 352.124161
Molecular weight : 298.28718 HOMO-LUMO gap : 11.824000
Herb list :
Refrences & Litretures:
  
34.      Journal:'J Sci Food Agric'      Year:'2014'      Volume:'94'      Page:'2179'      DOI:'10.1002/jsfa.6533'      Title:'Chemical composition and bioactivity of dried fruits and honey of Ficus carica cultivars Dottato, San Francesco and Citrullara'
749.      Journal:'J. Agric. food Chem'      Year:'1983'      Volume:'31'      Page:'38'      DOI:'10.1021/jf00115a010'      Title:'Composition of the Essential Oil of Alfalfa'
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