Cas no 113362-15-5 (5-Isoxazolecarboxylic acid, 3-(2,4-dimethylphenyl)-)

5-Isoxazolecarboxylic acid, 3-(2,4-dimethylphenyl)- structure
113362-15-5 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(2,4-dimethylphenyl)-
CAS No:113362-15-5
MF:C12H11NO3
MW:217.220643281937
CID:3625178
PubChem ID:13864674
Update Time:2025-04-22

5-Isoxazolecarboxylic acid, 3-(2,4-dimethylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxylic acid, 3-(2,4-dimethylphenyl)-
    • 3-(2,4-Dimethylphenyl)isoxazole-5-carboxylic acid
    • 113362-15-5
    • CS-0289259
    • 3-(2,4-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
    • STL301871
    • AKOS009282989
    • EN300-380460
    • Inchi: 1S/C12H11NO3/c1-7-3-4-9(8(2)5-7)10-6-11(12(14)15)16-13-10/h3-6H,1-2H3,(H,14,15)
    • InChI Key: PJFMQKDNOITOFE-UHFFFAOYSA-N
    • SMILES: O1C(C(O)=O)=CC(C2=CC=C(C)C=C2C)=N1

Computed Properties

  • Exact Mass: 217.07389321Da
  • Monoisotopic Mass: 217.07389321Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 269
  • 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: 2.6
  • Topological Polar Surface Area: 63.3?2

5-Isoxazolecarboxylic acid, 3-(2,4-dimethylphenyl)- Pricemore >>

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