Cas no 5018-32-6 (Propanedioic acid, ethoxy-, dimethyl ester)

Propanedioic acid, ethoxy-, dimethyl ester structure
5018-32-6 structure
Product Name:Propanedioic acid, ethoxy-, dimethyl ester
CAS No:5018-32-6
MF:C7H12O5
MW:176.167182922363
CID:365574
PubChem ID:13283925
Update Time:2025-04-19

Propanedioic acid, ethoxy-, dimethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid, ethoxy-, dimethyl ester
    • dimethyl 2-ethoxypropanedioate
    • Dimethyl ethoxypropanedioate
    • DTXSID00534653
    • SCHEMBL5792988
    • 5018-32-6
    • Inchi: 1S/C7H12O5/c1-4-12-5(6(8)10-2)7(9)11-3/h5H,4H2,1-3H3
    • InChI Key: UILPTYMAACQFHQ-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(=O)OC)C(=O)OC

Computed Properties

  • Exact Mass: 176.06846
  • Monoisotopic Mass: 176.06847348g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 149
  • 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: 0.5
  • Topological Polar Surface Area: 61.8?2

Experimental Properties

  • PSA: 61.83
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