Cas no 91569-59-4 (5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid)

5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid structure
91569-59-4 structure
Product Name:5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid
CAS No:91569-59-4
MF:C12H11NO3
MW:217.220643281937
MDL:MFCD07376089
CID:1079391
PubChem ID:6483807
Update Time:2025-04-20

5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Methyl-3-p-tolyl-isoxazole-4-carboxylic acid
    • 5-methyl-3-(4-methylphenyl)- 4-Isoxazolecarboxylic acid
    • MFCD07376089
    • A19309
    • 5-methyl-3-p-tolylisoxazole-4-carboxylic acid
    • SCHEMBL3862966
    • F1907-0515
    • 5-methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid
    • 91569-59-4
    • DTXSID70424330
    • EN300-264780
    • CS-0243521
    • BB 0253715
    • AKOS000300382
    • 5-methyl-3-(4-methylphenyl)-1,2-oxazole-4-carboxylic acid
    • 5-METHYL-3-(P-TOLYL)ISOXAZOLE-4-CARBOXYLICACID
    • 4-Isoxazolecarboxylic acid, 5-methyl-3-(4-methylphenyl)-
    • 5-METHYL-3-(P-TOLYL)ISOXAZOLE-4-CARBOXYLIC ACID
    • DB-359061
    • ALBB-021663
    • 5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid
    • MDL: MFCD07376089
    • Inchi: 1S/C12H11NO3/c1-7-3-5-9(6-4-7)11-10(12(14)15)8(2)16-13-11/h3-6H,1-2H3,(H,14,15)
    • InChI Key: IAGFERXYANTCJG-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)O)C(C2C=CC(C)=CC=2)=N1

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: 2
  • 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

5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid Security Information

5-Methyl-3-(4-methylphenyl)isoxazole-4-carboxylic acid Pricemore >>

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