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ScientificNameLabel
Phenethyl benzoate
PHCD compound ID : 2776
Chemical Names :
2-phenyethyl benzoate , Beta-Phenyl ethyl benzoate , Phenethyl benzoate
Molecular Formula : C15H14O2
Molecular Weight : 226.09938
More Details :
Names & Synonyms: 2-phenylethyl benzoate , benzoic acid 2-phenylethyl ester , benzoic acid phenethyl ester
Smiles: O=C(c1ccccc1)OCCc1ccccc1
InChi : InChI=1S/C15H14O2/c16-15(14-9-5-2-6-10-14)17-12-11-13-7-3-1-4-8-13/h1-10H,11-12H2
InChi Key : InChIKey=OSORMYZMWHVFOZ-UHFFFAOYSA-N
PubChem ID : 7194
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.429837
Hydrogen bond donor count : 0 Electric dipole moment : 2.089
XLogP : 2.975 VDW volume : 220.608553
Molecular weight : 226.09938 HOMO-LUMO gap : 8.986000
Herb list :
Refrences & Litretures:
  
323.      Journal:'J. Agric. Food Chem'      Year:'2000'      Volume:'48'      Page:'4294'      DOI:'10.1021/jf991395c'      Title:'Chemical Composition of the Flower Oil of Cinnamomum zeylanicum Blume'
633.      Journal:'Journal of Biologically Active Products from Nature'      Year:'2011'      Volume:'1'      Page:'19'      DOI:'10.1080/22311866.2011.10719069'      Title:'Chemical Composition and Antimicrobial Activity of Rosa damascena Mill Essential Oil'
634.      Journal:'Chemistry of Natural Compounds'      Year:'2009'      Volume:'45'      Page:'110'      DOI:''      Title:'CHEMICAL COMPOSITION OF THE ESSENTIAL OILS OF Rosa damascena FROM TWO DIFFERENT LOCATIONS IN IRAN'
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