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ScientificNameLabel
Buthyl benzene
PHCD compound ID : 77
Chemical Names :
Buthyl benzene
Molecular Formula : C10H14
Molecular Weight : 134.10955
More Details :
Names & Synonyms: butylbenzene
Smiles: CCCCc1ccccc1
InChi : InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
InChi Key : InChIKey=OCKPCBLVNKHBMX-UHFFFAOYSA-N
PubChem ID : 7705
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.434378
Hydrogen bond donor count : 0 Electric dipole moment : 0.602
XLogP : 4.076 VDW volume : 150.35047
Molecular weight : 134.10955 HOMO-LUMO gap : 9.764000
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'
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