Cas no 377062-62-9 (5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester)

5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester structure
377062-62-9 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester
CAS No:377062-62-9
MF:C13H13NO3
MW:231.247223615646
CID:1485654
PubChem ID:776519
Update Time:2025-09-22

5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester
    • 377062-62-9
    • DB-164838
    • STL329349
    • 3-p-Tolyl-isoxazole-5-carboxylic acid ethyl ester
    • Z793500562
    • EN300-6725026
    • ethyl3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
    • 3-(4-Methylphenyl)-5-isoxazolecarboxylic acid ethyl ester
    • BRD-K23287926-001-01-0
    • EU-0070818
    • Ethyl 3-(p-tolyl)isoxazole-5-carboxylate
    • AKOS000668916
    • ethyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
    • Inchi: 1S/C13H13NO3/c1-3-16-13(15)12-8-11(14-17-12)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
    • InChI Key: QVTSWNIDYMQSIJ-UHFFFAOYSA-N
    • SMILES: O1C(C(=O)OCC)=CC(C2C=CC(C)=CC=2)=N1

Computed Properties

  • Exact Mass: 231.08959
  • Monoisotopic Mass: 231.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 261
  • 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: 2.9
  • Topological Polar Surface Area: 52.3?2

Experimental Properties

  • PSA: 52.33

5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-, ethyl ester Pricemore >>

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