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ScientificNameLabel
Propyl propanoate
PHCD compound ID : 3088
Chemical Names :
Propyl propanoate
Molecular Formula : C6H12O2
Molecular Weight : 116.08373
More Details :
Names & Synonyms: propyl propanoate , propanoic acid propyl ester , propionic acid propyl ester
Smiles: CCCOC(=O)CC
InChi : InChI=1S/C6H12O2/c1-3-5-8-6(7)4-2/h3-5H2,1-2H3
InChi Key : InChIKey=MCSINKKTEDDPNK-UHFFFAOYSA-N
PubChem ID : 7803
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 10.736055
Hydrogen bond donor count : 0 Electric dipole moment : 1.934
XLogP : 1.275 VDW volume : 127.276361
Molecular weight : 116.08373 HOMO-LUMO gap : 11.943000
Herb list :
Refrences & Litretures:
  
400.      Journal:'LWT - Food Science and Technology'      Year:'2008'      Volume:'41'      Page:'2017'      DOI:'10.1016/j.lwt.2007.12.002'      Title:'Volatile compounds in uninoculated and inoculated table olives with Lactobacillus plantarum (Olea europaea L., cv. Moresca and Kalamata)'
401.      Journal:'Food Chemistry'      Year:'2008'      Volume:'107'      Page:'1522'      DOI:'org/10.1016/j.foodchem.2007.10.008'      Title:'Volatile compounds in table olives (Olea EuropaeaL., Nocellara del Belice cultivar)'
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