Cas no 113366-75-9 (4-Oxazolecarboxylicacid, 5-ethyl-2-methyl-)

4-Oxazolecarboxylicacid, 5-ethyl-2-methyl- structure
113366-75-9 structure
Product Name:4-Oxazolecarboxylicacid, 5-ethyl-2-methyl-
CAS No:113366-75-9
MF:C7H9NO3
MW:155.151262044907
CID:130146
PubChem ID:13835316
Update Time:2025-04-19

4-Oxazolecarboxylicacid, 5-ethyl-2-methyl- Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylicacid, 5-ethyl-2-methyl-
    • 4-Oxazolecarboxylicacid,5-ethyl-2-methyl-(9CI)
    • 5-ethyl-2-methyl-1,3-oxazole-4-carboxylic acid
    • 5-Ethyl-2-methyloxazole-4-carboxylic acid
    • 113366-75-9
    • DTXSID20550759
    • Inchi: 1S/C7H9NO3/c1-3-5-6(7(9)10)8-4(2)11-5/h3H2,1-2H3,(H,9,10)
    • InChI Key: TZRPDSHXBMYJNA-UHFFFAOYSA-N
    • SMILES: O1C(C)=NC(C(=O)O)=C1CC

Computed Properties

  • Exact Mass: 155.05827
  • Monoisotopic Mass: 155.058243149g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 2
  • Complexity: 160
  • 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: 1.4
  • Topological Polar Surface Area: 63.3?2

Experimental Properties

  • PSA: 63.33
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