Cas no 129663-12-3 (Ethyl 5-formyl-3-methylisoxazole-4-carboxylate)

Ethyl 5-formyl-3-methylisoxazole-4-carboxylate structure
129663-12-3 structure
Product Name:Ethyl 5-formyl-3-methylisoxazole-4-carboxylate
CAS No:129663-12-3
MF:C8H9NO4
MW:183.161362409592
MDL:MFCD10568350
CID:1071903
PubChem ID:14669001
Update Time:2025-11-06

Ethyl 5-formyl-3-methylisoxazole-4-carboxylate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 5-formyl-3-methylisoxazole-4-carboxylate
    • 5-formyl-3-methyl-4-Isoxazolecarboxylic acid ethyl ester
    • 2-Ethoxycarbonyl-5-formyl-3-methyl-4-(2-methoxycarbonyl-ethyl)-pyrrol
    • 5-(ethoxycarbonyl)-2-formyl-3-(methoxycarbonyl)-4-methylpyrrole
    • 5-(Ethoxycarbonyl)-2-formyl-4-methyl-1H-pyrrole-3-propanoic Acid Methyl Ester
    • 5-ethoxycarbonyl-3-(2-methoxycarbonyl)ethyl-4-methylpyrrole-2-carb
    • 5-formyl-3-methylisoxazole-4-carboxylic acid ethyl ester
    • AGN-PC-00PKNQ
    • ethyl 5-formyl-3-methyl-4-(2-methoxycarbonyl-ethyl)pyrrole-2-carboxylate
    • FT-0668071
    • ethyl 5-formyl-3-methyl-1,2-oxazole-4-carboxylate
    • SCHEMBL18605347
    • AS-5138
    • 129663-12-3
    • CS-0132610
    • AKOS006303849
    • MFCD10568350
    • Ethyl5-formyl-3-methylisoxazole-4-carboxylate
    • DB-368715
    • MDL: MFCD10568350
    • Inchi: 1S/C8H9NO4/c1-3-12-8(11)7-5(2)9-13-6(7)4-10/h4H,3H2,1-2H3
    • InChI Key: NHHOKZUJGAXILD-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1=C(C=O)ON=C1C)=O

Computed Properties

  • Exact Mass: 183.05317
  • Monoisotopic Mass: 183.05315777g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 206
  • 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: 0.8
  • Topological Polar Surface Area: 69.4?2

Experimental Properties

  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 319.4±42.0 °C at 760 mmHg
  • Flash Point: 146.9±27.9 °C
  • PSA: 69.4
  • Vapor Pressure: 0.0±0.7 mmHg at 25°C

Ethyl 5-formyl-3-methylisoxazole-4-carboxylate Security Information

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