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ScientificNameLabel
Phenyl ethyl hexanote
PHCD compound ID : 2884
Chemical Names :
Phenyl ethyl hexanote
Molecular Formula : C14H20O2
Molecular Weight : 220.14633
More Details :
Names & Synonyms: 2-phenylethyl hexanoate , hexanoic acid 2-phenylethyl ester , hexanoic acid phenethyl ester
Smiles: CCCCCC(=O)OCCc1ccccc1
InChi : InChI=1S/C14H20O2/c1-2-3-5-10-14(15)16-12-11-13-8-6-4-7-9-13/h4,6-9H,2-3,5,10-12H2,1H3
InChi Key : InChIKey=BUYNWUMUDHPPDS-UHFFFAOYSA-N
PubChem ID : 61384
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.531224
Hydrogen bond donor count : 0 Electric dipole moment : 1.901
XLogP : 3.873 VDW volume : 234.478403
Molecular weight : 220.14633 HOMO-LUMO gap : 9.774000
Herb list :
Refrences & Litretures:
  
364.      Journal:'Food Chemistry'      Year:'2008'      Volume:'110'      Page:'501'      DOI:'10.1016/j.foodchem.2008.02.018'      Title:'Comparative essential oil composition of flowers, leaves and stems of basil (Ocimum basilicum L.) used as herb'
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