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ScientificNameLabel
Pyrazole-4-carboxylic acid
PHCD compound ID : 4772
Chemical Names :
Pyrazole-4-carboxylic acid
Molecular Formula : C4H4N2O2
Molecular Weight : 112.027277
More Details :
Names & Synonyms: 1H-pyrazole-4-carboxylic acid
Smiles: OC(=O)c1c[nH]nc1
InChi : InChI=1S/C4H4N2O2/c7-4(8)3-1-5-6-2-3/h1-2H,(H,5,6)(H,7,8)
InChi Key : InChIKey=IMBBXSASDSZJSX-UHFFFAOYSA-N
PubChem ID : 3015937
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 10.590963
Hydrogen bond donor count : 2 Electric dipole moment : 2.217
XLogP : 0.754 VDW volume : 86.148536
Molecular weight : 112.027277 HOMO-LUMO gap : 10.156000
Herb list :
Refrences & Litretures:
  
760.      Journal:'International Journal of ChemTech Research'      Year:'2014'      Volume:'6'      Page:'4918'      DOI:''      Title:'Chemical composition and fungitoxic activities of Lavandula officinalis L. oil and comparison with synthetic fungicide on the growth some fungi in vitro'
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