Cas no 256473-81-1 (5-Isoxazolecarboxylicacid, 4-formyl-3-methyl-)

5-Isoxazolecarboxylicacid, 4-formyl-3-methyl- structure
256473-81-1 structure
Product Name:5-Isoxazolecarboxylicacid, 4-formyl-3-methyl-
CAS No:256473-81-1
MF:C6H5NO4
MW:155.108201742172
CID:246900
PubChem ID:19765269
Update Time:2025-09-22

5-Isoxazolecarboxylicacid, 4-formyl-3-methyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxylicacid, 4-formyl-3-methyl-
    • 4-Formyl-3-methyl-5-isoxazolecarboxylicacid
    • 4-formyl-3-methyl-1,2-oxazole-5-carboxylic acid
    • 4-formyl-3-methylisoxazole-5-carboxylicacid
    • SCHEMBL9446179
    • Z1216842796
    • 4-formyl-3-methyl-1, 2-oxazole-5-carboxylic acid
    • EN300-398546
    • 5-Isoxazolecarboxylic acid, 4-formyl-3-methyl-
    • 5-Isoxazolecarboxylic acid, 4-formyl-3-methyl- (9CI)
    • 256473-81-1
    • DTXSID70599693
    • AKOS027403719
    • 4-formyl-3-methylisoxazole-5-carboxylic acid
    • BFNONMTUKUIPNX-UHFFFAOYSA-N
    • Inchi: 1S/C6H5NO4/c1-3-4(2-8)5(6(9)10)11-7-3/h2H,1H3,(H,9,10)
    • InChI Key: BFNONMTUKUIPNX-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=C(C=O)C(C)=N1

Computed Properties

  • Exact Mass: 155.02185
  • Monoisotopic Mass: 155.02185764g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 0.1
  • Topological Polar Surface Area: 80.4?2

Experimental Properties

  • PSA: 80.4

5-Isoxazolecarboxylicacid, 4-formyl-3-methyl- Pricemore >>

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