Cas no 141679-59-6 (4-Isoxazolecarboxylicacid, 1-methylethyl ester)

4-Isoxazolecarboxylicacid, 1-methylethyl ester structure
141679-59-6 structure
Product Name:4-Isoxazolecarboxylicacid, 1-methylethyl ester
CAS No:141679-59-6
MF:C7H9NO3
MW:155.151262044907
CID:101459
PubChem ID:45090213
Update Time:2025-04-18

4-Isoxazolecarboxylicacid, 1-methylethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid, 1-methylethyl ester
    • propan-2-yl 1,2-oxazole-4-carboxylate
    • DTXSID60666585
    • 141679-59-6
    • Isopropyl isoxazole-4-carboxylate
    • Inchi: 1S/C7H9NO3/c1-5(2)11-7(9)6-3-8-10-4-6/h3-5H,1-2H3
    • InChI Key: DIATUEXOCSWGAD-UHFFFAOYSA-N
    • SMILES: O(C(C1C=NOC=1)=O)C(C)C

Computed Properties

  • Exact Mass: 155.058
  • Monoisotopic Mass: 155.058
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 3
  • Complexity: 147
  • 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
  • Topological Polar Surface Area: 52.3A^2
  • XLogP3: 1
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