Cas no 898747-12-1 (4-Methoxy-1H-indazole-3-carbaldehyde)

4-Methoxy-1H-indazole-3-carbaldehyde structure
898747-12-1 structure
Product Name:4-Methoxy-1H-indazole-3-carbaldehyde
CAS No:898747-12-1
MF:C9H8N2O2
MW:176.172021865845
MDL:MFCD08458986
CID:1040498
PubChem ID:24728923
Update Time:2025-04-20

4-Methoxy-1H-indazole-3-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 4-Methoxy-1H-indazole-3-carbaldehyde
    • 4-methoxy-2H-indazole-3-carbaldehyde
    • 4-Methoxy-3-formylindazole
    • 898747-12-1
    • YKB74712
    • AKOS006290727
    • CS-0303254
    • AS-83636
    • FT-0760856
    • AMY32436
    • EN300-374852
    • DTXSID30646576
    • 1H-Indazole-3-carboxaldehyde, 4-methoxy-
    • 4-Methoxy-1H-indazole-3-carboxaldehyde
    • MFCD08458986
    • F17860
    • DB-078535
    • MDL: MFCD08458986
    • Inchi: 1S/C9H8N2O2/c1-13-8-4-2-3-6-9(8)7(5-12)11-10-6/h2-5H,1H3,(H,10,11)
    • InChI Key: SJETWNRKPYWGOJ-UHFFFAOYSA-N
    • SMILES: O(C)C1=CC=CC2C1=C(C=O)NN=2

Computed Properties

  • Exact Mass: 176.058577502g/mol
  • Monoisotopic Mass: 176.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 198
  • 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: 1.3
  • Topological Polar Surface Area: 55?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 391.7±22.0 °C at 760 mmHg
  • Flash Point: 190.7±22.3 °C
  • Vapor Pressure: 0.0±0.9 mmHg at 25°C

4-Methoxy-1H-indazole-3-carbaldehyde Security Information

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