Cas no 138450-70-1 (Acetic acid, chlorooxo-, (acetyloxy)methyl ester)

Acetic acid, chlorooxo-, (acetyloxy)methyl ester structure
138450-70-1 structure
Product Name:Acetic acid, chlorooxo-, (acetyloxy)methyl ester
CAS No:138450-70-1
MF:C5H5ClO5
MW:180.543201208115
CID:2773016
PubChem ID:10910166
Update Time:2025-04-21

Acetic acid, chlorooxo-, (acetyloxy)methyl ester Chemical and Physical Properties

Names and Identifiers

    • 138450-70-1
    • Acetic acid, chlorooxo-, (acetyloxy)methyl ester
    • SCHEMBL9311639
    • DTXSID30448017
    • Inchi: 1S/C5H5ClO5/c1-3(7)10-2-11-5(9)4(6)8/h2H2,1H3
    • InChI Key: NBTAZNSKVOCKNS-UHFFFAOYSA-N
    • SMILES: ClC(C(=O)OCOC(C)=O)=O

Computed Properties

  • Exact Mass: 179.9825509Da
  • Monoisotopic Mass: 179.9825509Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 187
  • 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
  • Topological Polar Surface Area: 69.7?2
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