Cas no 113366-77-1 (2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid)

2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic acid is a heterocyclic carboxylic acid derivative with a molecular formula of C?H?NO?. This compound features an oxazole ring substituted with ethyl and methyl groups, along with a carboxylic acid functional group at the 4-position. It serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceuticals, agrochemicals, and specialty chemicals. Its structural properties make it valuable for constructing complex molecules, including bioactive compounds. The compound exhibits moderate stability under standard conditions and can undergo further functionalization, such as esterification or amidation, to yield derivatives with tailored properties. Its purity and consistent performance make it suitable for research and industrial applications.
2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid structure
113366-77-1 structure
Product Name:2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid
CAS No:113366-77-1
MF:C7H9NO3
MW:155.151262044907
MDL:MFCD16699888
CID:130147
PubChem ID:13835317
Update Time:2025-05-27

2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid Chemical and Physical Properties

Names and Identifiers

    • 4-Oxazolecarboxylicacid, 2-ethyl-5-methyl-
    • 2-ethyl-5-methyl-1,3-oxazole-4-carboxylic acid
    • 4-Oxazolecarboxylicacid,2-ethyl-5-methyl-(9CI)
    • Z969117658
    • 2-Ethyl-5-methyloxazole-4-carboxylicacid
    • 2-Ethyl-5-methyloxazole-4-carboxylic acid
    • DTXSID30550760
    • SCHEMBL9917050
    • CS-0239355
    • EN300-210880
    • AKOS011518030
    • 113366-77-1
    • 2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid
    • MDL: MFCD16699888
    • Inchi: 1S/C7H9NO3/c1-3-5-8-6(7(9)10)4(2)11-5/h3H2,1-2H3,(H,9,10)
    • InChI Key: JLDIHJOTWRRRRZ-UHFFFAOYSA-N
    • SMILES: O1C(C)=C(C(=O)O)N=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

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 276.6±20.0 °C at 760 mmHg
  • Flash Point: 121.1±21.8 °C
  • PSA: 63.33
  • Vapor Pressure: 0.0±0.6 mmHg at 25°C

2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid Security Information

2-Ethyl-5-methyl-1,3-oxazole-4-carboxylic Acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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