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ScientificNameLabel
2-phenylacetate
PHCD compound ID : 4099
Chemical Names :
2-phenylacetate
Molecular Formula : C8H7O2
Molecular Weight : 135.044604
More Details :
Names & Synonyms: 2-phenylacetate , 2-phenylethanoate
Smiles: [O-]C(=O)Cc1ccccc1
InChi : InChI=1S/C8H8O2/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,9,10)/p-1
InChi Key : InChIKey=WLJVXDMOQOGPHL-UHFFFAOYSA-M
PubChem ID : 4409936
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 4.546085
Hydrogen bond donor count : 0 Electric dipole moment : 10.051
XLogP : 0.772 VDW volume : 129.384266
Molecular weight : 135.044604 HOMO-LUMO gap : 8.135000
Herb list :
Refrences & Litretures:
  
567.      Journal:'Food Research International'      Year:'2011'      Volume:'44'      Page:'250'      DOI:'10.1016/j.foodres.2010.10.028'      Title:'Dynamics of volatile and non-volatile compounds in cocoa (Theobroma cacao L.) during fermentation and drying processes using principal components analysis'
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