Cas no 924-53-8 (Acetic acid, oxo-, 1-methylethyl ester)

Acetic acid, oxo-, 1-methylethyl ester structure
924-53-8 structure
Product Name:Acetic acid, oxo-, 1-methylethyl ester
CAS No:924-53-8
MF:C5H8O3
MW:116.115221977234
CID:753217
PubChem ID:10920483
Update Time:2025-04-19

Acetic acid, oxo-, 1-methylethyl ester Chemical and Physical Properties

Names and Identifiers

    • Acetic acid, oxo-, 1-methylethyl ester
    • propan-2-yl 2-oxoacetate
    • KIFFSTLDKYVBBI-UHFFFAOYSA-N
    • DTXSID50448271
    • ISOPROPYL 2-OXOACETATE
    • ISOPROPYL2-OXOACETATE
    • SCHEMBL1089272
    • isopropyl glyoxylate
    • 924-53-8
    • AKOS017515551
    • Inchi: 1S/C5H8O3/c1-4(2)8-5(7)3-6/h3-4H,1-2H3
    • InChI Key: KIFFSTLDKYVBBI-UHFFFAOYSA-N
    • SMILES: O(C(C=O)=O)C(C)C

Computed Properties

  • Exact Mass: 116.047344113g/mol
  • Monoisotopic Mass: 116.047344113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 3
  • Complexity: 95.8
  • 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: 43.4?2
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