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Cyclohexanecarboxylic acid,ethenyl ester
PHCD compound ID : 5451
Chemical Names :
Cyclohexanecarboxylic acid,ethenyl ester
Molecular Formula : C9H14O2
Molecular Weight : 154.09938
More Details :
Names & Synonyms: vinyl cyclohexanecarboxylate , cyclohexanecarboxylic acid ethenyl ester , ethenyl cyclohexanecarboxylate , cyclohexanecarboxylic acid vinyl ester
Smiles: C=COC(=O)C1CCCCC1
InChi : InChI=1S/C9H14O2/c1-2-11-9(10)8-6-4-3-5-7-8/h2,8H,1,3-7H2
InChi Key : InChIKey=JZRGFKQYQJKGAK-UHFFFAOYSA-N
PubChem ID : 20985
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.948342
Hydrogen bond donor count : 0 Electric dipole moment : 2.111
XLogP : 2.607 VDW volume : 164.171398
Molecular weight : 154.09938 HOMO-LUMO gap : 10.525000
Herb list :
Refrences & Litretures:
  
908.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'6'      Page:'109'      DOI:''      Title:'Essential oil composition of Elaeagnus angustifolia and Elaeagnus orientalis from Sistan and Baluchestan, Iran'
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