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ScientificNameLabel
n-Caproic acid vinyl ester
PHCD compound ID : 3763
Chemical Names :
n-Caproic acid vinyl ester
Molecular Formula : C8H14O2
Molecular Weight : 142.09938
More Details :
Names & Synonyms: vinyl hexanoate , hexanoic acid ethenyl ester , ethenyl hexanoate , hexanoic acid vinyl ester
Smiles: CCCCCC(=O)OC=C
InChi : InChI=1S/C8H14O2/c1-3-5-6-7-8(9)10-4-2/h4H,2-3,5-7H2,1H3
InChi Key : InChIKey=LZWYWAIOTBEZFN-UHFFFAOYSA-N
PubChem ID : 76451
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.992978
Hydrogen bond donor count : 0 Electric dipole moment : 1.998
XLogP : 2.654 VDW volume : 159.231872
Molecular weight : 142.09938 HOMO-LUMO gap : 10.539000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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