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ScientificNameLabel
1,3-dimethyl-4-ethylbenzene
PHCD compound ID : 2805
Chemical Names :
1,3-dimethyl-4-ethylbenzene , 1-Ethyl-2,4-dimethyl benzene
Molecular Formula : C10H14
Molecular Weight : 134.10955
More Details :
Names & Synonyms: 1-ethyl-2,4-dimethyl-benzene , 1-ethyl-2,4-dimethylbenzene
Smiles: CCc1ccc(cc1C)C
InChi : InChI=1S/C10H14/c1-4-10-6-5-8(2)7-9(10)3/h5-7H,4H2,1-3H3
InChi Key : InChIKey=MEMBJMDZWKVOTB-UHFFFAOYSA-N
PubChem ID : 13403
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 0 Ionization potential : 8.952620
Hydrogen bond donor count : 0 Electric dipole moment : 0.534
XLogP : 3.722 VDW volume : 150.35047
Molecular weight : 134.10955 HOMO-LUMO gap : 9.454000
Herb list :
Refrences & Litretures:
  
339.      Journal:'J. Agric. Food Chem'      Year:'1978'      Volume:'26'      Page:'1290'      DOI:'10.1021/jf60220a012'      Title:'Volatile components of corn silk (Zea mays L.): possible Heliothis zea (Boddie) attractants'
647.      Journal:'Iranian Journal of Pharmaceutical Research'      Year:'2003'      Volume:'2'      Page:'245'      DOI:''      Title:'Composition of the Essential Oil of the Root of Heracleum persicum from Iran'
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