Cas no 67271-32-3 (Hexanoic acid, 2-chloro-3-oxo-, ethyl ester)

Hexanoic acid, 2-chloro-3-oxo-, ethyl ester structure
67271-32-3 structure
Product Name:Hexanoic acid, 2-chloro-3-oxo-, ethyl ester
CAS No:67271-32-3
MF:C8H13ClO3
MW:192.640022039413
MDL:MFCD20621315
CID:395082
PubChem ID:11424094
Update Time:2025-04-19

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

Names and Identifiers

    • Hexanoic acid, 2-chloro-3-oxo-, ethyl ester
    • ethyl 2-chloro-3-oxohexanoate
    • ZGDSIUBFOLFVBP-UHFFFAOYSA-N
    • EN300-6748279
    • SCHEMBL1920127
    • 67271-32-3
    • 2-chloro-3-oxo-hexanoic acid ethyl ester
    • Ethyl2-chloro-3-oxohexanoate
    • DTXSID90465407
    • MDL: MFCD20621315
    • Inchi: 1S/C8H13ClO3/c1-3-5-6(10)7(9)8(11)12-4-2/h7H,3-5H2,1-2H3
    • InChI Key: ZGDSIUBFOLFVBP-UHFFFAOYSA-N
    • SMILES: ClC(C(=O)OCC)C(CCC)=O

Computed Properties

  • Exact Mass: 192.05539
  • Monoisotopic Mass: 192.0553220g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 168
  • 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
  • XLogP3: 1.9
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Hexanoic acid, 2-chloro-3-oxo-, ethyl ester Pricemore >>

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