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ScientificNameLabel
1H-Pyrazole.5-methoxy-1.3-dimethyl-
PHCD compound ID : 3743
Chemical Names :
1H-Pyrazole.5-methoxy-1.3-dimethyl-
Molecular Formula : C6H10N2O1
Molecular Weight : 126.079313
More Details :
Names & Synonyms: 5-methoxy-1,3-dimethyl-pyrazole , 5-methoxy-1,3-dimethylpyrazole
Smiles: COc1cc(nn1C)C
InChi : InChI=1S/C6H10N2O/c1-5-4-6(9-3)8(2)7-5/h4H,1-3H3
InChi Key : InChIKey=QGVNQBGVRVIBMA-UHFFFAOYSA-N
PubChem ID : 581065
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.961275
Hydrogen bond donor count : 0 Electric dipole moment : 2.692
XLogP : 1.185 VDW volume : 114.586737
Molecular weight : 126.079313 HOMO-LUMO gap : 9.897000
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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