Cas no 668970-80-7 (5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid)

5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid structure
668970-80-7 structure
Product Name:5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CAS No:668970-80-7
MF:C11H9NO3
MW:203.194062948227
MDL:MFCD07377105
CID:1714229
PubChem ID:23006222
Update Time:2025-09-23

5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Isoxazolecarboxylic acid, 5-(2-methylphenyl)-
    • 5-(2-Methylphenyl)-1,2-oxazole-3-carboxylic acid
    • 5-(2-Methylphenyl)isoxazole-3-carboxylic acid
    • 5-o-tolylisoxazole-3-carboxylic acid
    • MFCD07377105
    • SCHEMBL1179236
    • 5-tolylisoxazole-3-carboxylic
    • 5-o-Tolyl-isoxazole-3-carboxylic acid
    • CCG-311861
    • AS-6481
    • F1967-0238
    • DTXSID10629701
    • AKOS002658339
    • EN300-238090
    • 5-(o-tolyl)isoxazole-3-carboxylic acid
    • 668970-80-7
    • G19763
    • 5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid
    • MDL: MFCD07377105
    • Inchi: 1S/C11H9NO3/c1-7-4-2-3-5-8(7)10-6-9(11(13)14)12-15-10/h2-6H,1H3,(H,13,14)
    • InChI Key: WYRHIMMIRUNJQP-UHFFFAOYSA-N
    • SMILES: O1C(=CC(C(=O)O)=N1)C1C=CC=CC=1C

Computed Properties

  • Exact Mass: 203.05827
  • Monoisotopic Mass: 203.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 244
  • 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

  • PSA: 63.33

5-(2-methylphenyl)-1,2-oxazole-3-carboxylic acid Pricemore >>

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