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ScientificNameLabel
4.4-Dimethylcyclohexadienone
PHCD compound ID : 3726
Chemical Names :
4.4-Dimethylcyclohexadienone
Molecular Formula : C8H10O1
Molecular Weight : 122.073165
More Details :
Names & Synonyms: 4,4-dimethylcyclohexa-2,5-dien-1-one , 4,4-dimethyl-1-cyclohexa-2,5-dienone
Smiles: O=C1C=CC(C=C1)(C)C
InChi : InChI=1S/C8H10O/c1-8(2)5-3-7(9)4-6-8/h3-6H,1-2H3
InChi Key : InChIKey=YKDJBIPPVNMAGR-UHFFFAOYSA-N
PubChem ID : 556333
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.956156
Hydrogen bond donor count : 0 Electric dipole moment : 4.956
XLogP : 2.19 VDW volume : 135.448728
Molecular weight : 122.073165 HOMO-LUMO gap : 9.415000
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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