Cas no 89379-30-6 (3,5-Isoxazoledicarboxylicacid)

3,5-Isoxazoledicarboxylicacid structure
3,5-Isoxazoledicarboxylicacid structure
Product Name:3,5-Isoxazoledicarboxylicacid
CAS No:89379-30-6
MF:C5H3NO5
MW:157.081021547318
CID:711658
PubChem ID:12886503
Update Time:2025-04-19

3,5-Isoxazoledicarboxylicacid Chemical and Physical Properties

Names and Identifiers

    • 3,5-Isoxazoledicarboxylicacid
    • 1,2-oxazole-3,5-dicarboxylic acid
    • DTXSID10512326
    • YSCK0740
    • 89379-30-6
    • Isoxazole-3,5-dicarboxylic acid
    • SCHEMBL2806245
    • Inchi: 1S/C5H3NO5/c7-4(8)2-1-3(5(9)10)11-6-2/h1H,(H,7,8)(H,9,10)
    • InChI Key: OSKMGGSWKBKSMF-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)O)=CC(C(=O)O)=N1

Computed Properties

  • Exact Mass: 157.00112220g/mol
  • Monoisotopic Mass: 157.00112220g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 191
  • 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: 101?2
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