Cas no 103985-11-1 (3-Pyridazinecarboxylic acid, 6-phenyl-)

3-Pyridazinecarboxylic acid, 6-phenyl-, is a heterocyclic organic compound featuring a pyridazine core substituted with a phenyl group at the 6-position and a carboxylic acid moiety at the 3-position. This structure imparts versatility in synthetic applications, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The carboxylic acid group enables further functionalization through esterification, amidation, or metal complexation, while the phenyl substitution enhances stability and influences electronic properties. Its well-defined reactivity profile makes it valuable for designing biologically active molecules or ligands in catalysis. The compound is typically characterized by high purity and consistent performance in research and industrial settings.
3-Pyridazinecarboxylic acid, 6-phenyl- structure
103985-11-1 structure
Product Name:3-Pyridazinecarboxylic acid, 6-phenyl-
CAS No:103985-11-1
MF:C11H8N2O2
MW:200.193422317505
CID:1140217
PubChem ID:68776020
Update Time:2025-06-07

3-Pyridazinecarboxylic acid, 6-phenyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridazinecarboxylic acid, 6-phenyl-
    • 6-phenylpyridazine-3-carboxylic acid
    • DB-369378
    • SCHEMBL3760547
    • Z1508924322
    • EN300-7564412
    • DTXSID90738986
    • 103985-11-1
    • Inchi： 1S/C11H8N2O2/c14-11(15)10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H,(H,14,15)
    • InChI Key： VHEYTABSZVILNN-UHFFFAOYSA-N
    • SMILES： OC(C1=CC=C(C2C=CC=CC=2)N=N1)=O

Computed Properties

  • Exact Mass: 200.05864
  • Monoisotopic Mass: 200.058577502g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: 1.4
  • Topological Polar Surface Area: 63.1?2

Experimental Properties

  • PSA: 63.08
  • LogP: 1.84180

3-Pyridazinecarboxylic acid, 6-phenyl- Pricemore >>

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