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ScientificNameLabel
hexyl propanoate
PHCD compound ID : 3378
Chemical Names :
hexyl propanoate , hexyl propionate
Molecular Formula : C9H18O2
Molecular Weight : 158.13068
More Details :
Names & Synonyms: hexyl propanoate , propanoic acid hexyl ester , propionic acid hexyl ester
Smiles: CCCCCCOC(=O)CC
InChi : InChI=1S/C9H18O2/c1-3-5-6-7-8-11-9(10)4-2/h3-8H2,1-2H3
InChi Key : InChIKey=GOKKOFHHJFGZHW-UHFFFAOYSA-N
PubChem ID : 88454
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.712786
Hydrogen bond donor count : 0 Electric dipole moment : 2.017
XLogP : 2.982 VDW volume : 179.164315
Molecular weight : 158.13068 HOMO-LUMO gap : 11.919000
Herb list :
Refrences & Litretures:
  
463.      Journal:'J. Agric. Food Chem'      Year:'2007'      Volume:'55'      Page:'6087'      DOI:'10.1021/jf070464h'      Title:'Volatile Emission after Controlled Atmosphere Storage of Mondial Gala Apples (Malus domestica): Relationship to Some Involved Enzyme Activities'
650.      Journal:'Span J Agric Res'      Year:'2014'      Volume:'12'      Page:'1166'      DOI:'10.5424/sjar/2014124-6527'      Title:'Chemical composition and bio-pesticidal values of essential oil isolated from the seed of Heracleum persicum Desf. ex Fischer (Apiaceae)'
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