Cas no 264264-33-7 (3-(1H-Pyrazol-1-yl)benzoic acid)

3-(1H-Pyrazol-1-yl)benzoic acid structure
264264-33-7 structure
Product Name:3-(1H-Pyrazol-1-yl)benzoic acid
CAS No:264264-33-7
MF:C10H8N2O2
MW:188.182722091675
MDL:MFCD05864484
CID:254321
PubChem ID:2795546
Update Time:2025-04-19

3-(1H-Pyrazol-1-yl)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(1H-Pyrazol-1-yl)benzoic acid
    • 3-pyrazol-1-ylbenzoic acid
    • 3-Pyrazol-1-yl-benzoic acid
    • Benzoic acid,3-(1H-pyrazol-1-yl)-
    • 1-(3-Carboxyphenyl)-1H-pyrazole
    • 3-(1-pyrazolyl)benzoic acid
    • 3-pyrazolylbenzoic acid
    • MFCD05864484
    • DTXSID20383766
    • SY063122
    • Z339275020
    • KLMWJDGRIJPPSS-UHFFFAOYSA-N
    • BB 0220088
    • BP-13258
    • 3-(1H-pyrazol-1-yl)-benzoic acid
    • 3-(1H-Pyrazol-1-yl)benzoic acid, AldrichCPR
    • SCHEMBL940668
    • 3-(1H-Pyrazol-1-yl)benzoicacid
    • AB22768
    • J-510431
    • FT-0678002
    • EN300-63969
    • 264264-33-7
    • F2135-1152
    • A818442
    • Benzoic acid, 3-(1H-pyrazol-1-yl)-
    • AS-62057
    • AKOS000303068
    • BBL011656
    • ALBB-029057
    • DB-010506
    • 3-(pyrazol-1-yl)benzoic acid
    • STK802498
    • DTXCID40334790
    • G84218
    • MDL: MFCD05864484
    • Inchi: 1S/C10H8N2O2/c13-10(14)8-3-1-4-9(7-8)12-6-2-5-11-12/h1-7H,(H,13,14)
    • InChI Key: KLMWJDGRIJPPSS-UHFFFAOYSA-N
    • SMILES: OC(C1=CC=CC(=C1)N1C=CC=N1)=O

Computed Properties

  • Exact Mass: 188.05900
  • Monoisotopic Mass: 188.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 220
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: nothing
  • Topological Polar Surface Area: 55.1?2

Experimental Properties

  • Melting Point: 154 °C
  • PSA: 55.12000
  • LogP: 1.57050

3-(1H-Pyrazol-1-yl)benzoic acid Security Information

3-(1H-Pyrazol-1-yl)benzoic acid Pricemore >>

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