Cas no 89317-64-6 (1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester)

1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester structure
89317-64-6 structure
Product Name:1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester
CAS No:89317-64-6
MF:C9H13O6
MW:217.195923566818
CID:604333
PubChem ID:71323575
Update Time:2025-04-19

1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • 1,1,2-Ethanetricarboxylic acid, 1,2-diethyl ester
    • 4-ethoxy-2-ethoxycarbonyl-4-oxobutanoate
    • DTXSID80753148
    • 89317-64-6
    • 4-Ethoxy-2-(ethoxycarbonyl)-4-oxobutanoate
    • Inchi: 1S/C9H14O6/c1-3-14-7(10)5-6(8(11)12)9(13)15-4-2/h6H,3-5H2,1-2H3,(H,11,12)/p-1
    • InChI Key: VFDSMMNVSSYTTD-UHFFFAOYSA-M
    • SMILES: O(CC)C(C(C(=O)[O-])CC(=O)OCC)=O

Computed Properties

  • Exact Mass: 217.07121313g/mol
  • Monoisotopic Mass: 217.07121313g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 7
  • Complexity: 242
  • 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: 1.1
  • Topological Polar Surface Area: 92.7?2
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