Cas no 91569-57-2 (4-Isoxazolecarboxylicacid, 3-methyl-5-(4-methylphenyl)-)

4-Isoxazolecarboxylicacid, 3-methyl-5-(4-methylphenyl)- structure
91569-57-2 structure
Product Name:4-Isoxazolecarboxylicacid, 3-methyl-5-(4-methylphenyl)-
CAS No:91569-57-2
MF:C12H11NO3
MW:217.220643281937
MDL:MFCD11557830
CID:799907
PubChem ID:28275774
Update Time:2025-04-19

4-Isoxazolecarboxylicacid, 3-methyl-5-(4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 4-Isoxazolecarboxylicacid, 3-methyl-5-(4-methylphenyl)-
    • 3-methyl-5-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid
    • 4-Isoxazolecarboxylicacid,3-methyl-5-p-tolyl-(7CI)
    • SCHEMBL15280716
    • 3-Methyl-5-(p-tolyl)isoxazole-4-carboxylic acid
    • 91569-57-2
    • CS-0325883
    • AKOS005136562
    • MFCD11557830
    • 3-Methyl-5-(4-methylphenyl)-4-isoxazolecarboxylic acid
    • 3-Methyl-5-p-tolyl-isoxazole-4-carboxylic acid
    • DTXSID00651197
    • 3-Methyl-5-(p-tolyl)isoxazole-4-carboxylicacid
    • AS-5262
    • MDL: MFCD11557830
    • Inchi: 1S/C12H11NO3/c1-7-3-5-9(6-4-7)11-10(12(14)15)8(2)13-16-11/h3-6H,1-2H3,(H,14,15)
    • InChI Key: HAIMCHXZWFJELA-UHFFFAOYSA-N
    • SMILES: O1C(=C(C(=O)O)C(C)=N1)C1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 217.07389321g/mol
  • Monoisotopic Mass: 217.07389321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • 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: 2.3
  • Topological Polar Surface Area: 63.3?2

4-Isoxazolecarboxylicacid, 3-methyl-5-(4-methylphenyl)- Pricemore >>

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