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ScientificNameLabel
m-Ethyl cumene
PHCD compound ID : 1922
Chemical Names :
m-Ethyl cumene
Molecular Formula : C11H16
Molecular Weight : 148.125201
More Details :
Names & Synonyms: 1-ethyl-3-isopropyl-benzene , 1-ethyl-3-propan-2-ylbenzene , 1-ethyl-3-propan-2-yl-benzene
Smiles: CCc1cccc(c1)C(C)C
InChi : InChI=1S/C11H16/c1-4-10-6-5-7-11(8-10)9(2)3/h5-9H,4H2,1-3H3
InChi Key : InChIKey=GSLSBTNLESMZTN-UHFFFAOYSA-N
PubChem ID : 21030
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 9.261098
Hydrogen bond donor count : 0 Electric dipole moment : 0.706
XLogP : 4.298 VDW volume : 167.646455
Molecular weight : 148.125201 HOMO-LUMO gap : 9.717000
Herb list :
Refrences & Litretures:
  
226.      Journal:'Journal of Ethnopharmacology'      Year:'2008'      Volume:'119'      Page:'325'      DOI:'10.1016/j.jep.2008.07.023'      Title:'Antimicrobial activity and chemical composition of Mentha pulegium L. essential oil'
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