Cas no 134378-95-3 (3-p-tolylisoxazole-5-carboxylic acid)

3-p-tolylisoxazole-5-carboxylic acid structure
134378-95-3 structure
Product Name:3-p-tolylisoxazole-5-carboxylic acid
CAS No:134378-95-3
MF:C11H9NO3
MW:203.194062948227
CID:4590838
PubChem ID:19976908
Update Time:2024-11-05

3-p-tolylisoxazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-(4-methylphenyl)-1,2-oxazole-5-carboxylic acid
    • 5-Isoxazolecarboxylic acid, 3-(4-methylphenyl)-
    • 3-p-tolylisoxazole-5-carboxylic acid
    • SCHEMBL8880032
    • 3-(4 -methylphenyl) isoxazole-5-carboxylic acid
    • 3-(4-methylphenyl)-1,2-oxazole-5-carboxylicacid
    • 134378-95-3
    • Z367654540
    • QHISGBCCUGZEEN-UHFFFAOYSA-N
    • CS-0247441
    • AKOS008119675
    • EN300-36616
    • 3-(4-methylphenyl)isoxazole-5-carboxylic acid
    • G22384
    • J-006528
    • Inchi: 1S/C11H9NO3/c1-7-2-4-8(5-3-7)9-6-10(11(13)14)15-12-9/h2-6H,1H3,(H,13,14)
    • InChI Key: QHISGBCCUGZEEN-UHFFFAOYSA-N
    • SMILES: O1C(C(O)=O)=CC(C2=CC=C(C)C=C2)=N1

Computed Properties

  • Exact Mass: 203.058243149g/mol
  • Monoisotopic Mass: 203.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 236
  • 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

Experimental Properties

  • Density: 1.3±0.1 g/cm3
  • Boiling Point: 433.5±33.0 °C at 760 mmHg
  • Flash Point: 216.0±25.4 °C
  • Vapor Pressure: 0.0±1.1 mmHg at 25°C

3-p-tolylisoxazole-5-carboxylic acid Security Information

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