Cas no 1108712-48-6 (5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid)

5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid structure
1108712-48-6 structure
Product Name:5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid
CAS No:1108712-48-6
MF:C7H9NO4
MW:171.150662183762
CID:1068366
PubChem ID:66521748
Update Time:2025-04-20

5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Methoxymethyl)-3-methylisoxazole-4-carboxylic acid
    • J-516364
    • 1108712-48-6
    • W-204745
    • 5-(MethoxyMethyl)-3-Methylisoxazol-4-carboxylic acid
    • DTXSID20735105
    • MFCD18839246
    • SY319008
    • AKOS015950330
    • 5-(Methoxymethyl)-3-methylisoxazole-4-carboxylicacid
    • SCHEMBL354660
    • 5-(methoxymethyl)-3-methyl-1,2-oxazole-4-carboxylic acid
    • A906391
    • MDL： MFCD18839245
    • Inchi： 1S/C7H9NO4/c1-4-6(7(9)10)5(3-11-2)12-8-4/h3H2,1-2H3,(H,9,10)
    • InChI Key： OFYWPMZISFZALQ-UHFFFAOYSA-N
    • SMILES： O1C(COC)=C(C(=O)O)C(C)=N1

Computed Properties

  • Exact Mass: 171.05315777g/mol
  • Monoisotopic Mass: 171.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 173
  • 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
  • Topological Polar Surface Area: 72.6?2

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