Cas no 61936-90-1 (Cyclopropanehexacarboxylic acid, hexaethyl ester)

Cyclopropanehexacarboxylic acid, hexaethyl ester structure
61936-90-1 structure
Product Name:Cyclopropanehexacarboxylic acid, hexaethyl ester
CAS No:61936-90-1
MF:C21H30O12
MW:474.455708026886
CID:1632794
PubChem ID:2884837
Update Time:2025-04-21

Cyclopropanehexacarboxylic acid, hexaethyl ester Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanehexacarboxylic acid, hexaethyl ester
    • hexaethyl cyclopropane-1,1,2,2,3,3-hexacarboxylate
    • DTXSID10387253
    • CB06091
    • CBMicro_004204
    • 61936-90-1
    • SMSF0013465
    • BIM-0004253.P001
    • Inchi: 1S/C21H30O12/c1-7-28-13(22)19(14(23)29-8-2)20(15(24)30-9-3,16(25)31-10-4)21(19,17(26)32-11-5)18(27)33-12-6/h7-12H2,1-6H3
    • InChI Key: GYCJESZSAKYIQR-UHFFFAOYSA-N
    • SMILES: O(CC)C(C1(C(=O)OCC)C(C(=O)OCC)(C(=O)OCC)C1(C(=O)OCC)C(=O)OCC)=O

Computed Properties

  • Exact Mass: 474.1737
  • Monoisotopic Mass: 474.17372639g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 18
  • Complexity: 629
  • 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: 1.5
  • Topological Polar Surface Area: 158?2

Experimental Properties

  • PSA: 157.8
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