Cas no 221323-55-3 (5-formyl-1-methyl-1H-pyrazole-3-carboxylic acid)

5-formyl-1-methyl-1H-pyrazole-3-carboxylic acid structure
221323-55-3 structure
Product Name:5-formyl-1-methyl-1H-pyrazole-3-carboxylic acid
CAS No:221323-55-3
MF:C6H6N2O3
MW:154.12344121933
MDL:MFCD13174858
CID:244236
PubChem ID:45082094
Update Time:2025-04-19

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

Names and Identifiers

    • 1H-Pyrazole-3-carboxylicacid, 5-formyl-1-methyl-
    • 5-Formyl-1-methyl-1H-pyrazole-3-carboxylicacid
    • 5-formyl-1-methylpyrazole-3-carboxylic acid
    • 5-formyl-1-methyl-1H-pyrazole-3-carboxylic acid
    • SCHEMBL7428175
    • AT14150
    • EN300-306880
    • Z1255494709
    • DTXSID10665088
    • AKOS023428105
    • 221323-55-3
    • MFCD13174858
    • 1H-Pyrazole-3-carboxylic acid, 5-formyl-1-methyl- (9CI)
    • MDL： MFCD13174858
    • Inchi： 1S/C6H6N2O3/c1-8-4(3-9)2-5(7-8)6(10)11/h2-3H,1H3,(H,10,11)
    • InChI Key： ODPLFSCTCVMBMZ-UHFFFAOYSA-N
    • SMILES： OC(C1C=C(C=O)N(C)N=1)=O

Computed Properties

  • Exact Mass: 154.03788
  • Monoisotopic Mass: 154.038
  • 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
  • Topological Polar Surface Area: 72.2A^2
  • XLogP3: -0.1

Experimental Properties

  • PSA: 72.19

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

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abcr
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abcr
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