Cas no 674786-71-1 (4-Pentene-1,2,2-tricarboxylic acid, triethyl ester)

4-Pentene-1,2,2-tricarboxylic acid, triethyl ester structure
674786-71-1 structure
Product Name:4-Pentene-1,2,2-tricarboxylic acid, triethyl ester
CAS No:674786-71-1
MF:C14H22O6
MW:286.320885181427
CID:394773
PubChem ID:71374833
Update Time:2025-04-19

4-Pentene-1,2,2-tricarboxylic acid, triethyl ester Chemical and Physical Properties

Names and Identifiers

    • 4-Pentene-1,2,2-tricarboxylic acid, triethyl ester
    • triethyl pent-4-ene-1,2,2-tricarboxylate
    • 674786-71-1
    • DTXSID10797595
    • Inchi: 1S/C14H22O6/c1-5-9-14(12(16)19-7-3,13(17)20-8-4)10-11(15)18-6-2/h5H,1,6-10H2,2-4H3
    • InChI Key: KTHNUEXPNSPJDO-UHFFFAOYSA-N
    • SMILES: O(CC)C(C(C(=O)OCC)(CC=C)CC(=O)OCC)=O

Computed Properties

  • Exact Mass: 286.14166
  • Monoisotopic Mass: 286.14163842g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 12
  • Complexity: 343
  • 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: 2
  • Topological Polar Surface Area: 78.9?2

Experimental Properties

  • PSA: 78.9
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