Cas no 77709-13-8 (3-methylpyridazine-4-carbaldehyde)

3-methylpyridazine-4-carbaldehyde structure
77709-13-8 structure
Product Name:3-methylpyridazine-4-carbaldehyde
CAS No:77709-13-8
MF:C6H6N2O
MW:122.12464094162
CID:1092362
PubChem ID:12682580
Update Time:2025-09-05

3-methylpyridazine-4-carbaldehyde Chemical and Physical Properties

Names and Identifiers

    • 3-methyl-4-Pyridazinecarboxaldehyde
    • 3-methylpyridazine-4-carbaldehyde
    • SCHEMBL12778096
    • CS-0380525
    • A917284
    • 77709-13-8
    • AKOS006302308
    • MDL: MFCD10700252
    • Inchi: 1S/C6H6N2O/c1-5-6(4-9)2-3-7-8-5/h2-4H,1H3
    • InChI Key: LDBRSCSNNWVAFZ-UHFFFAOYSA-N
    • SMILES: O=CC1C=CN=NC=1C

Computed Properties

  • Exact Mass: 122.048012819g/mol
  • Monoisotopic Mass: 122.048012819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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: -0.3
  • Topological Polar Surface Area: 42.8?2

Experimental Properties

  • Boiling Point: 306.3±22.0°C at 760 mmHg

3-methylpyridazine-4-carbaldehyde Security Information

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