Cas no 294659-27-1 (1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)-)

1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)- structure
294659-27-1 structure
Product Name:1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)-
CAS No:294659-27-1
MF:C6H8O5
MW:160.124722480774
CID:249162
PubChem ID:45084952
Update Time:2025-04-19

1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)-
    • 1,3-Dioxolane-4-carboxylicacid,2,2-dimethyl-5-oxo-,(4S)-(9CI)
    • (4S)-2,2-Dimethyl-5-oxo-1,3-dioxolane-4-carboxylic acid
    • SCHEMBL7440481
    • 294659-27-1
    • DTXSID80665772
    • Inchi: 1S/C6H8O5/c1-6(2)10-3(4(7)8)5(9)11-6/h3H,1-2H3,(H,7,8)/t3-/m0/s1
    • InChI Key: GQSBSTKUXFIDSL-VKHMYHEASA-N
    • SMILES: O1[C@@H](C(=O)O)C(=O)OC1(C)C

Computed Properties

  • Exact Mass: 160.03714
  • Monoisotopic Mass: 160.037
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 207
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 72.8A^2
  • XLogP3: 0.8

Experimental Properties

  • PSA: 72.83

1,3-Dioxolane-4-carboxylicacid, 2,2-dimethyl-5-oxo-, (4S)- Related Literature

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