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Octyl formate
PHCD compound ID : 2470
Chemical Names :
Formic acid,octyl ester , Octyl formate
Molecular Formula : C9H18O2
Molecular Weight : 158.13068
More Details :
Names & Synonyms: octyl formate , formic acid octyl ester , octyl methanoate
Smiles: CCCCCCCCOC=O
InChi : InChI=1S/C9H18O2/c1-2-3-4-5-6-7-8-11-9-10/h9H,2-8H2,1H3
InChi Key : InChIKey=AVBRYQRTMPHARE-UHFFFAOYSA-N
PubChem ID : 8176
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.961239
Hydrogen bond donor count : 0 Electric dipole moment : 2.126
XLogP : 3.631 VDW volume : 179.164315
Molecular weight : 158.13068 HOMO-LUMO gap : 11.858000
Herb list :
Refrences & Litretures:
  
285.      Journal:'Journal of Herbal Drugs'      Year:'2013'      Volume:'4'      Page:'137'      DOI:''      Title:'Phytochemical of essential oil of Stachys lavandulifolia Vahl. collected from a natural habitat in western Isfahan, Iran'
525.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'284'      DOI:''      Title:'Essential oil composition of Hypericum perforatum L. and Hypericum scabrum L. growing wild in Tajikistan'
651.      Journal:'Bioscience Research'      Year:'2005'      Volume:'2'      Page:'107'      DOI:''      Title:'Cytotoxicity and chemical constituents of the volatile oil of golpar (heracleum persicum desf. Ex Fischer)'
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