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ScientificNameLabel
propylbenzene
PHCD compound ID : 75
Chemical Names :
Propyl benzene , propylbenzene , n-propyl benzene
Molecular Formula : C9H12
Molecular Weight : 120.0939
More Details :
Names & Synonyms: propylbenzene
Smiles: CCCc1ccccc1
InChi : InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
InChi Key : InChIKey=ODLMAHJVESYWTB-UHFFFAOYSA-N
PubChem ID : 7668
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.438998
Hydrogen bond donor count : 0 Electric dipole moment : 0.622
XLogP : 3.507 VDW volume : 133.054486
Molecular weight : 120.0939 HOMO-LUMO gap : 9.767000
Herb list :
Refrences & Litretures:
  
4.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2013'      Volume:'16'      Page:'850'      DOI:'10.1080/0972060X.2013.861993'      Title:'Chemical Composition of Peganum harmala Smoke and Volatile Oil'
251.      Journal:'Journal of Essential Oil Research'      Year:'2004'      Volume:'16'      Page:'318'      DOI:'10.1080/10412905.2004.9698731'      Title:'Volatile Components of Tamarind (Tamarindus indica L.) Grown in Cuba'
522.      Journal:'Maced. J. Chem. Chem. Eng'      Year:'2015'      Volume:'34'      Page:'333'      DOI:''      Title:'Essential oil composition of indigenous populations of Hypericum perforatum L. from southern Albania'
755.      Journal:'Experimental Parasitology'      Year:'2012'      Volume:'132'      Page:'470'      DOI:'org/10.1016/j.exppara.2012.09.010'      Title:'Identification of chemical constituents and larvicidal activity of Kelussia odoratissima Mozaffarian essential oil against two mosquito vectors Anopheles stephensi and Culex pipiens (Diptera: Culicidae)'
757.      Journal:'CLINICS'      Year:'2011'      Volume:'66'      Page:'843'      DOI:'10.1590/S1807-59322011000500022'      Title:'Chemical composition of the essential oil from Kelussia odoratissima Mozaff. and the evaluation of its sedative and anxiolytic effects in mice'
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