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ScientificNameLabel
ethylbenzene
PHCD compound ID : 2109
Chemical Names :
ethylbenzene
Molecular Formula : C8H10
Molecular Weight : 106.07825
More Details :
Names & Synonyms: ethylbenzene
Smiles: CCc1ccccc1
InChi : InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChi Key : InChIKey=YNQLUTRBYVCPMQ-UHFFFAOYSA-N
PubChem ID : 7500
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.449173
Hydrogen bond donor count : 0 Electric dipole moment : 0.579
XLogP : 2.938 VDW volume : 115.758501
Molecular weight : 106.07825 HOMO-LUMO gap : 9.780000
Herb list :
Refrences & Litretures:
  
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'
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