Cas no 851755-50-5 (3-formyl-1-methyl-1H-pyrazole-4-carboxylic acid)

3-formyl-1-methyl-1H-pyrazole-4-carboxylic acid structure
851755-50-5 structure
Product Name:3-formyl-1-methyl-1H-pyrazole-4-carboxylic acid
CAS No:851755-50-5
MF:C6H6N2O3
MW:154.12344121933
CID:4232924
PubChem ID:57445628
Update Time:2025-04-24

3-formyl-1-methyl-1H-pyrazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrazole-4-carboxylic acid, 3-formyl-1-methyl-
    • 3-Formyl-1-methyl-1H-pyrazole-4-carboxylic acid
    • AT34663
    • 3-formyl-1-methyl-1H-pyrazole-4-carboxylicacid
    • 851755-50-5
    • SCHEMBL3255276
    • EN300-155774
    • 3-formyl-1-methyl-1H-pyrazole-4-carboxylic acid
    • Inchi： 1S/C6H6N2O3/c1-8-2-4(6(10)11)5(3-9)7-8/h2-3H,1H3,(H,10,11)
    • InChI Key： VDXHIMNWNUBPCY-UHFFFAOYSA-N
    • SMILES： N1(C)C=C(C(O)=O)C(C=O)=N1

Computed Properties

  • Exact Mass: 154.03784206Da
  • Monoisotopic Mass: 154.03784206Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 183
  • 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
  • XLogP3: -0.4
  • Topological Polar Surface Area: 72.2?2

3-formyl-1-methyl-1H-pyrazole-4-carboxylic acid Pricemore >>

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