Cas no 88958-15-0 (Ethyl 5-(p-tolyl)isoxazole-3-carboxylate)

Ethyl 5-(p-tolyl)isoxazole-3-carboxylate structure
88958-15-0 structure
Product Name:Ethyl 5-(p-tolyl)isoxazole-3-carboxylate
CAS No:88958-15-0
MF:C13H13NO3
MW:231.247223615646
MDL:MFCD08446402
CID:710615
PubChem ID:329815971
Update Time:2025-10-05

Ethyl 5-(p-tolyl)isoxazole-3-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-(p-tolyl)isoxazole-3-carboxylate
    • 3-Isoxazolecarboxylicacid, 5-(4-methylphenyl)-, ethyl ester
    • ethyl 5-p-tolylisoxazole-3-carboxylate
    • ETHYL 5-(4-METHYLPHENYL)-1,2-OXAZOLE-3-CARBOXYLATE
    • Ethyl 5-p-tolylisoxazole-3-carboxylate, AldrichCPR
    • 3-ethoxycarbonyl-5-(p-tolyl)isoxazole
    • FT-0725044
    • MFCD08446402
    • DTXSID50629705
    • 88958-15-0
    • DB-002311
    • MDL: MFCD08446402
    • Inchi: 1S/C13H13NO3/c1-3-16-13(15)11-8-12(17-14-11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
    • InChI Key: XPIUEGYFYXHZBH-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(=O)OCC)=N1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 231.08954328g/mol
  • Monoisotopic Mass: 231.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • 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

Ethyl 5-(p-tolyl)isoxazole-3-carboxylate Security Information

  • Hazardous Material transportation number:NONH for all modes of transport

Ethyl 5-(p-tolyl)isoxazole-3-carboxylate Pricemore >>

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