Cas no 134541-08-5 (5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid)

5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid structure
134541-08-5 structure
Product Name:5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid
CAS No:134541-08-5
MF:C6H7NO4
MW:157.124081850052
MDL:MFCD13193540
CID:900216
PubChem ID:14787251
Update Time:2025-04-19

5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-(Methoxymethyl)isoxazole-4-carboxylic acid
    • 4-Isoxazolecarboxylicacid,5-(methoxymethyl)-(9CI)
    • 5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid
    • DB-100100
    • SCHEMBL262255
    • MFCD13193540
    • 5-(METHOXYMETHYL)ISOXAZOLE-4-CARBOXYLICACID
    • AS-54811
    • W10243
    • VKYAVCXPZKRQAJ-UHFFFAOYSA-N
    • AKOS022175757
    • 134541-08-5
    • CS-0047340
    • DTXSID30564029
    • MDL: MFCD13193540
    • Inchi: 1S/C6H7NO4/c1-10-3-5-4(6(8)9)2-7-11-5/h2H,3H2,1H3,(H,8,9)
    • InChI Key: VKYAVCXPZKRQAJ-UHFFFAOYSA-N
    • SMILES: O1C(=C(C(=O)O)C=N1)COC

Computed Properties

  • Exact Mass: 157.03751
  • Monoisotopic Mass: 157.03750770g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 150
  • 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: 72.6?2

Experimental Properties

  • PSA: 72.56

5-(methoxymethyl)-1,2-oxazole-4-carboxylic acid Security Information

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