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ScientificNameLabel
ethyl nicotinate
PHCD compound ID : 2523
Chemical Names :
ethyl nicotinate
Molecular Formula : C8H9N1O2
Molecular Weight : 151.063329
More Details :
Names & Synonyms: ethyl pyridine-3-carboxylate , 3-pyridinecarboxylic acid ethyl ester , nicotinic acid ethyl ester
Smiles: CCOC(=O)c1cccnc1
InChi : InChI=1S/C8H9NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h3-6H,2H2,1H3
InChi Key : InChIKey=XBLVHTDFJBKJLG-UHFFFAOYSA-N
PubChem ID : 69188
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.548178
Hydrogen bond donor count : 0 Electric dipole moment : 0.115
XLogP : 0.236 VDW volume : 141.699256
Molecular weight : 151.063329 HOMO-LUMO gap : 9.590000
Herb list :
Refrences & Litretures:
  
290.      Journal:'Journal of Essential Oil Research'      Year:'1995'      Volume:'7'      Page:'425'      DOI:'10.1080/10412905.1995.9698554'      Title:'Volatile Components of Lawsonia inermis L. Flowers'
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