Cas no 161126-47-2 (Methyl 5-formyl-3-methylisoxazole-4-carboxylate)

Methyl 5-formyl-3-methylisoxazole-4-carboxylate structure
161126-47-2 structure
Product Name:Methyl 5-formyl-3-methylisoxazole-4-carboxylate
CAS No:161126-47-2
MF:C7H7NO4
MW:169.134782075882
CID:904565
PubChem ID:15643255
Update Time:2025-04-19

Methyl 5-formyl-3-methylisoxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Methyl 5-formyl-3-methylisoxazole-4-carboxylate
    • 4-Isoxazolecarboxylicacid,5-formyl-3-methyl-,methylester(9CI)
    • Methyl 5-formyl-3-methyl-1,2-oxazole-4-carboxylate
    • AGN-PC-00Q1LQ
    • AK-54064
    • ANW-64074
    • CTK8C0089
    • KB-257518
    • MolPort-004-798-592
    • Methyl 5-formyl-3-methylisoxazole-4-
    • DTXSID40576198
    • 161126-47-2
    • Methyl5-formyl-3-methylisoxazole-4-carboxylate
    • MDL: MFCD20921929
    • Inchi: 1S/C7H7NO4/c1-4-6(7(10)11-2)5(3-9)12-8-4/h3H,1-2H3
    • InChI Key: SYOMPTIYIQASDJ-UHFFFAOYSA-N
    • SMILES: O1C(C=O)=C(C(=O)OC)C(C)=N1

Computed Properties

  • Exact Mass: 169.03750770g/mol
  • Monoisotopic Mass: 169.03750770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 194
  • 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: 0.4
  • Topological Polar Surface Area: 69.4?2

Methyl 5-formyl-3-methylisoxazole-4-carboxylate Pricemore >>

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