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ScientificNameLabel
Phenyl ethyl tiglate
PHCD compound ID : 4482
Chemical Names :
Phenyl ethyl tiglate
Molecular Formula : C13H16O2
Molecular Weight : 204.11503
More Details :
Names & Synonyms: 2-phenylethyl (E)-2-methylbut-2-enoate , (E)-2-methyl-2-butenoic acid 2-phenylethyl ester , (E)-2-methylbut-2-enoic acid phenethyl ester
Smiles: C/C=C(/C(=O)OCCc1ccccc1)\C
InChi : InChI=1S/C13H16O2/c1-3-11(2)13(14)15-10-9-12-7-5-4-6-8-12/h3-8H,9-10H2,1-2H3/b11-3+
InChi Key : InChIKey=KVMWYGAYARXPOL-QDEBKDIKSA-N
PubChem ID : 5357002
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.404402
Hydrogen bond donor count : 0 Electric dipole moment : 2.222
XLogP : 2.91 VDW volume : 214.54596
Molecular weight : 204.11503 HOMO-LUMO gap : 9.633000
Herb list :
Refrences & Litretures:
  
659.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'37'      Page:'479'      DOI:'10.1016/j.indcrop.2011.07.024'      Title:'Chemical composition and antioxidant and antimicrobial activity of essential oil of Artemisia annua L. from Bosnia'
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