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ScientificNameLabel
Buthyl cinnamate
PHCD compound ID : 5452
Chemical Names :
Buthyl cinnamate
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms: butyl (E)-3-phenylprop-2-enoate , (E)-3-phenyl-2-propenoic acid butyl ester , butyl (E)-3-phenylprop-2-enoate , (E)-3-phenylacrylic acid butyl ester
Smiles: CCCCOC(=O)/C=C/c1ccccc1
InChi : InChI=1S/C13H16O2/c1-2-3-11-15-13(14)10-9-12-7-5-4-6-8-12/h4-10H,2-3,11H2,1H3/b10-9+
InChi Key : InChIKey=OHHIVLJVBNCSHV-MDZDMXLPSA-N
PubChem ID : 5273465
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.624509
Hydrogen bond donor count : 0 Electric dipole moment : 2.009
XLogP : 3.558 VDW volume : 214.54596
Molecular weight : 204.11503 HOMO-LUMO gap : 8.781000
Herb list :
Refrences & Litretures:
  
908.      Journal:'Journal of Herbal Drugs'      Year:'2015'      Volume:'6'      Page:'109'      DOI:''      Title:'Essential oil composition of Elaeagnus angustifolia and Elaeagnus orientalis from Sistan and Baluchestan, Iran'
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