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ScientificNameLabel
Allyl n-nonanoate
PHCD compound ID : 513
Chemical Names :
Allyl n-nonanoate
Molecular Formula : C12H22O2
Molecular Weight : 198.16198
More Details :
Names & Synonyms: allyl nonanoate , nonanoic acid prop-2-enyl ester , prop-2-enyl nonanoate , pelargonic acid allyl ester
Smiles: CCCCCCCCC(=O)OCC=C
InChi : InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-12(13)14-11-4-2/h4H,2-3,5-11H2,1H3
InChi Key : InChIKey=MFLWLDDOGSNSKO-UHFFFAOYSA-N
PubChem ID : 61410
Rotatable bond count : 10 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.348137
Hydrogen bond donor count : 0 Electric dipole moment : 1.748
XLogP : 4.523 VDW volume : 228.41581
Molecular weight : 198.16198 HOMO-LUMO gap : 11.166000
Herb list :
Refrences & Litretures:
  
31.      Journal:'Global Journal of Pharmacology'      Year:'2013'      Volume:'7'      Page:'377'      DOI:'10.5829/idosi.gjp.2013.7.4.1114'      Title:'Steryl Glycosides, Lipoidal Matter and Volatile Constituents of Urtica pilulifera'
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