Cas no 885520-03-6 (5-Cyano-1H-indazole-3-carboxylic acid)

5-Cyano-1H-indazole-3-carboxylic acid structure
885520-03-6 structure
Product Name:5-Cyano-1H-indazole-3-carboxylic acid
CAS No:885520-03-6
MF:C9H5N3O2
MW:187.154901266098
MDL:MFCD07378942
CID:840753
PubChem ID:24728742
Update Time:2024-12-09

5-Cyano-1H-indazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Cyano-1H-indazole-3-carboxylic acid
    • 5-CYANO INDAZOLE-3-CARBOXYLIC ACID
    • methyl 5-(hydroxymethyl)nicotinate
    • FCH856068
    • AX8225407
    • W9109
    • ST24024066
    • C06012
    • 5-Cyano-1H-indazole-3-carboxylic acid (ACI)
    • 5-Cyanoindazole-3-carboxylic Acid
    • 885520-03-6
    • AC-15049
    • SB39576
    • SY107863
    • DTXSID50646452
    • GS-3873
    • SCHEMBL20894463
    • MFCD07378942
    • 5-Cyano-1H-indazole-3-carboxylicacid
    • CS-W022367
    • F11841
    • AKOS006285108
    • MDL： MFCD07378942
    • Inchi： 1S/C9H5N3O2/c10-4-5-1-2-7-6(3-5)8(9(13)14)12-11-7/h1-3H,(H,11,12)(H,13,14)
    • InChI Key： QRFXWXSZQDFFJF-UHFFFAOYSA-N
    • SMILES： N#CC1C=C2C(NN=C2C(O)=O)=CC=1

Computed Properties

  • Exact Mass: 187.038176411g/mol
  • Monoisotopic Mass: 187.038176411g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 1
  • Complexity: 296
  • 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: 89.8
  • XLogP3: 1.1

Experimental Properties

  • Color/Form: No data available
  • Density: 1.59±0.1 g/cm3 (20 oC 760 Torr),
  • Melting Point: No data available
  • Boiling Point: 535.0±30.0 °C at 760 mmHg
  • Flash Point: 277.4±24.6 °C
  • Solubility: Very slightly soluble (0.45 g/l) (25 o C),

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