Cas no 89202-89-1 (1,4-Dimethyl-1H-pyrazole-3-carboxylic acid)

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid structure
89202-89-1 structure
Product Name:1,4-Dimethyl-1H-pyrazole-3-carboxylic acid
CAS No:89202-89-1
MF:C6H8N2O2
MW:140.139921188354
MDL:MFCD19228348
CID:609022
PubChem ID:5325685
Update Time:2024-11-26

1,4-Dimethyl-1H-pyrazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1,4-Dimethyl-1H-pyrazole-3-carboxylic acid
    • 1,4-Dimethylpyrazole-3-carboxylic acid
    • 1H-Pyrazole-3-carboxylic acid, 1,4-dimethyl-
    • WYCQFCGAORZRDX-UHFFFAOYSA-N
    • 4727AC
    • ST2403010
    • 1,4-Dimethyl-1H-pyrazole-3-carboxylic acid (ACI)
    • 3-Pyrazolecarboxylic acid, 1,4-dimethyl- (2CI)
    • 1 pound not4-Dimethyl-1H-pyrazole-3-carboxylic acid
    • SY114153
    • DTXSID90416035
    • DS-14246
    • 1,4-Dimethyl-1H-pyrazole-3-carboxylicacid
    • CS-W006950
    • 89202-89-1
    • SB39669
    • EN300-248608
    • DA-16682
    • MFCD19228348
    • SCHEMBL631704
    • InChI=1/C6H8N2O2/c1-4-3-8(2)7-5(4)6(9)10/h3H,1-2H3,(H,9,10
    • AKOS006377447
    • MDL: MFCD19228348
    • Inchi: 1S/C6H8N2O2/c1-4-3-8(2)7-5(4)6(9)10/h3H,1-2H3,(H,9,10)
    • InChI Key: WYCQFCGAORZRDX-UHFFFAOYSA-N
    • SMILES: O=C(C1C(C)=CN(C)N=1)O

Computed Properties

  • Exact Mass: 140.058577502g/mol
  • Monoisotopic Mass: 140.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 149
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 55.1
  • XLogP3: 0.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.28±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 305.4±22.0 °C at 760 mmHg
  • Flash Point: 138.5±22.3 °C
  • Solubility: Slightly soluble (5.5 g/l) (25 o C),
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

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