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ScientificNameLabel
Isovaleryl-3-phenyl-proprionate
PHCD compound ID : 1415
Chemical Names :
3-phenyl propenoic acid, 3-methyl buthyl ester , Isovaleryl-3-phenyl-proprionate
Molecular Formula : C14H20O2
Molecular Weight : 220.14633
More Details :
Names & Synonyms: isopentyl 3-phenylpropanoate , 3-phenylpropanoic acid 3-methylbutyl ester , 3-methylbutyl 3-phenylpropanoate , 3-phenylpropionic acid isoamyl ester
Smiles: CC(CCOC(=O)CCc1ccccc1)C
InChi : InChI=1S/C14H20O2/c1-12(2)10-11-16-14(15)9-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChi Key : InChIKey=WDHICFSUJDFSIU-UHFFFAOYSA-N
PubChem ID : 568843
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.635533
Hydrogen bond donor count : 0 Electric dipole moment : 1.914
XLogP : 3.812 VDW volume : 234.478403
Molecular weight : 220.14633 HOMO-LUMO gap : 9.799000
Herb list :
Refrences & Litretures:
  
150.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'5'      Page:'187'      DOI:''      Title:'Evaluation of the essential oil composition and antioxidant activity of Achillea eriophora as a medicinal plant'
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
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