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ScientificNameLabel
pentylbenzene
PHCD compound ID : 4192
Chemical Names :
pentylbenzene , pentyl benzene
Molecular Formula : C11H16
Molecular Weight : 148.125201
More Details :
Names & Synonyms: pentylbenzene , amylbenzene
Smiles: CCCCCc1ccccc1
InChi : InChI=1S/C11H16/c1-2-3-5-8-11-9-6-4-7-10-11/h4,6-7,9-10H,2-3,5,8H2,1H3
InChi Key : InChIKey=PWATWSYOIIXYMA-UHFFFAOYSA-N
PubChem ID : 10864
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.435702
Hydrogen bond donor count : 0 Electric dipole moment : 0.628
XLogP : 4.645 VDW volume : 167.646455
Molecular weight : 148.125201 HOMO-LUMO gap : 9.764000
Herb list :
Refrences & Litretures:
  
596.      Journal:'J. Essent. Oil Res'      Year:'2008'      Volume:'20'      Page:'318'      DOI:'10.1080/10412905.2008.9700022'      Title:'Composition of the Essential Oil of Levisticum Offcinale W.D.J. Koch from Some European Countries'
756.      Journal:'Journal of Herbs, Spices & Medicinal Plants'      Year:'2011'      Volume:'17'      Page:'62'      DOI:'10.1080/10496475.2011.560089'      Title:'Chemical Composition of Three Ecotypes of Wild Celery (Kelussia odoratissima)'
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