Cas no 874623-61-7 (6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylic acid)

6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylic acid structure
874623-61-7 structure
Product Name:6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylic acid
CAS No:874623-61-7
MF:C13H12N2O4
MW:260.245383262634
MDL:MFCD07692339
CID:3109015
PubChem ID:7131845
Update Time:2025-04-21

6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylic acid
    • 874623-61-7
    • CS-0241573
    • DTXSID601171404
    • AKOS000268938
    • Z147652466
    • HMS1733M16
    • 6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic Acid
    • EN300-23418
    • 1,6-Dihydro-6-oxo-1-(2-phenoxyethyl)-3-pyridazinecarboxylic acid
    • 6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylicacid
    • G26772
    • STL227814
    • MDL: MFCD07692339
    • Inchi: 1S/C13H12N2O4/c16-12-7-6-11(13(17)18)14-15(12)8-9-19-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,17,18)
    • InChI Key: XRVPEQDXUVOXQJ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC=CC=1)CCN1C(C=CC(C(=O)O)=N1)=O

Computed Properties

  • Exact Mass: 260.07970687Da
  • Monoisotopic Mass: 260.07970687Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 5
  • Complexity: 411
  • 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: 1.1
  • Topological Polar Surface Area: 79.2?2

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Melting Point: 138-140 °C
  • Boiling Point: 466.6±47.0 °C at 760 mmHg
  • Flash Point: 236.0±29.3 °C
  • Vapor Pressure: 0.0±1.2 mmHg at 25°C

6-oxo-1-(2-phenoxyethyl)-1,6-dihydropyridazine-3-carboxylic acid Security Information

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