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ScientificNameLabel
Ethanone.1-(2.3.4-trimethylphenyl)-
PHCD compound ID : 3767
Chemical Names :
Ethanone.1-(2.3.4-trimethylphenyl)-
Molecular Formula : C11H14O1
Molecular Weight : 162.104465
More Details :
Names & Synonyms:
Smiles: CC(=O)c1ccc(c(c1C)C)C
InChi : InChI=1S/C11H14O/c1-7-5-6-11(10(4)12)9(3)8(7)2/h5-6H,1-4H3
InChi Key : InChIKey=RVPPPQUJELLLDP-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.396081
Hydrogen bond donor count : 0 Electric dipole moment : 3.662
XLogP : 2.42 VDW volume : 173.800223
Molecular weight : 162.104465 HOMO-LUMO gap : 9.486000
Herb list :
Refrences & Litretures:
  
513.      Journal:'J. of Supercritical Fluids'      Year:'2014'      Volume:'95'      Page:'373'      DOI:'10.1016/j.sup?u.2014.08.009'      Title:'Bio-oil production from Glycyrrhiza glabra through supercritical ?uid extraction'
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