Cas no 50774-86-2 (Butanoic acid, 3-chloro-2-oxo-, ethyl ester)

Butanoic  acid,  3-chloro-2-oxo-,  ethyl  ester structure
50774-86-2 structure
Product Name:Butanoic acid, 3-chloro-2-oxo-, ethyl ester
CAS No:50774-86-2
MF:C6H9ClO3
MW:164.586861371994
CID:934254
PubChem ID:71438006
Update Time:2025-04-19

Butanoic acid, 3-chloro-2-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Butanoic acid, 3-chloro-2-oxo-, ethyl ester
    • 3-?chloro-?2-?oxoButanoic acid ethyl ester
    • Ethyl-3-chloro-2-oxo butanoate
    • DA-25557
    • Butanoic acid, 3-chloro-2-oxo-, ethyl ester
    • 50774-86-2
    • ETHYL 3-CHLORO-2-OXOBUTANOATE
    • Inchi: 1S/C6H9ClO3/c1-3-10-6(9)5(8)4(2)7/h4H,3H2,1-2H3
    • InChI Key: WHHFJPUOJRVNFU-UHFFFAOYSA-N
    • SMILES: ClC(C)C(C(=O)OCC)=O

Computed Properties

  • Exact Mass: 164.024
  • Monoisotopic Mass: 164.024
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 4
  • Complexity: 144
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 43.4A^2
  • XLogP3: 1.4

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