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ScientificNameLabel
3-phenylpropyl acetate
PHCD compound ID : 1340
Chemical Names :
Gamma-phenylpropyl acetate , 3-phenylpropyl acetate
Molecular Formula : C11H14O2
Molecular Weight : 178.09938
More Details :
Names & Synonyms: 3-phenylpropyl acetate , acetic acid 3-phenylpropyl ester , 3-phenylpropyl ethanoate
Smiles: CC(=O)OCCCc1ccccc1
InChi : InChI=1S/C11H14O2/c1-10(12)13-9-5-8-11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChi Key : InChIKey=JRJGKUTZNBZHNK-UHFFFAOYSA-N
PubChem ID : 31226
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.590392
Hydrogen bond donor count : 0 Electric dipole moment : 1.929
XLogP : 2.482 VDW volume : 182.590449
Molecular weight : 178.09938 HOMO-LUMO gap : 9.795000
Herb list :
Refrences & Litretures:
  
143.      Journal:'Journal of Stored Products Research'      Year:'2012'      Volume:'48'      Page:'97'      DOI:'10.1016/j.jspr.2011.10.003'      Title:'Insecticidal activities of essential oils from leaves of Laurus nobilis L. from Tunisia, Algeria and Morocco, and comparative chemical composition'
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'
324.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'331'      DOI:''      Title:'Chemical Composition of the Volatile Oil from the Fruits of Cinnamomum zeylanicum Blume'
325.      Journal:'J. Agric. Food Chem'      Year:'2003'      Volume:'51'      Page:'4344'      DOI:'10.1021/jf034169i'      Title:'Volatile Constituents from Cinnamomum zeylanicum Fruit Stalks and Their Antioxidant Activities'
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