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ScientificNameLabel
1H-Pyrazole.4.5-dihydro-5.5-dimethyl-4-isopropylidene-
PHCD compound ID : 3801
Chemical Names :
1H-Pyrazole.4.5-dihydro-5.5-dimethyl-4-isopropylidene-
Molecular Formula : C8H14N2
Molecular Weight : 138.115698
More Details :
Names & Synonyms: 4-isopropylidene-5,5-dimethyl-1H-pyrazole , 5,5-dimethyl-4-propan-2-ylidene-1H-pyrazole , 4-isopropylidene-3,3-dimethyl-2-pyrazoline
Smiles: CC(=C1C=NNC1(C)C)C
InChi : InChI=1S/C8H14N2/c1-6(2)7-5-9-10-8(7,3)4/h5,10H,1-4H3
InChi Key : InChIKey=DKLRQEIICLZTQW-UHFFFAOYSA-N
PubChem ID : 557693
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 8.491474
Hydrogen bond donor count : 1 Electric dipole moment : 4.087
XLogP : 2.044 VDW volume : 151.28848
Molecular weight : 138.115698 HOMO-LUMO gap : 8.662000
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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