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ScientificNameLabel
1-Methyl-3,5-dimethoxy-1H-pyrazole
PHCD compound ID : 1914
Chemical Names :
1-Methyl-3,5-dimethoxy-1H-pyrazole
Molecular Formula : C6H10N2O2
Molecular Weight : 142.074228
More Details :
Names & Synonyms: 3,5-dimethoxy-1-methyl-pyrazole , 3,5-dimethoxy-1-methylpyrazole
Smiles: COc1nn(c(c1)OC)C
InChi : InChI=1S/C6H10N2O2/c1-8-6(10-3)4-5(7-8)9-2/h4H,1-3H3
InChi Key : InChIKey=GJUYKYPLMLGFPW-UHFFFAOYSA-N
PubChem ID : 15758000
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.692523
Hydrogen bond donor count : 0 Electric dipole moment : 4.143
XLogP : 1.244 VDW volume : 123.376964
Molecular weight : 142.074228 HOMO-LUMO gap : 9.482000
Herb list :
Refrences & Litretures:
  
224.      Journal:'Industrial Crops and Products'      Year:'2012'      Volume:'36'      Page:'81'      DOI:'10.1016/j.indcrop.2011.08.011'      Title:'European pennyroyal (Mentha pulegium) from Portugal: Chemical composition of essential oil and antioxidant and antimicrobial properties of extracts and essential oil'
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