Cas no 72899-91-3 (4-(3-methyl-1H-pyrazol-1-yl)benzoic acid)

4-(3-methyl-1H-pyrazol-1-yl)benzoic acid structure
72899-91-3 structure
Product Name:4-(3-methyl-1H-pyrazol-1-yl)benzoic acid
CAS No:72899-91-3
MF:C11H10N2O2
MW:202.209302425385
CID:1761835
PubChem ID:1180478
Update Time:2025-04-21

4-(3-methyl-1H-pyrazol-1-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-(3-methyl-1H-pyrazol-1-yl)-
    • 4-(3-methyl-1H-pyrazol-1-yl)benzoic acid
    • AKOS000164343
    • DB-152538
    • SCHEMBL1770474
    • G20033
    • 4-(3-methylpyrazol-1-yl)benzoic Acid
    • EN300-41336
    • F3099-6582
    • 4-(3-methyl-1H-pyrazol-1-yl)benzoicacid
    • CS-0248772
    • Z316174666
    • MFCD06255078
    • 3-methyl-1-(4-carboxyphenyl)pyrazole
    • 72899-91-3
    • DYLOJVSWTZSAAA-UHFFFAOYSA-N
    • Inchi: 1S/C11H10N2O2/c1-8-6-7-13(12-8)10-4-2-9(3-5-10)11(14)15/h2-7H,1H3,(H,14,15)
    • InChI Key: DYLOJVSWTZSAAA-UHFFFAOYSA-N
    • SMILES: OC(C1C=CC(=CC=1)N1C=CC(C)=N1)=O

Computed Properties

  • Exact Mass: 202.0743
  • Monoisotopic Mass: 202.074227566g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 237
  • 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: 1.8
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • PSA: 55.12

4-(3-methyl-1H-pyrazol-1-yl)benzoic acid Pricemore >>

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