Cas no 4202-11-3 (dipropyl 2,3-bis(benzoyloxy)butanedioate)

dipropyl 2,3-bis(benzoyloxy)butanedioate structure
4202-11-3 structure
Product Name:dipropyl 2,3-bis(benzoyloxy)butanedioate
CAS No:4202-11-3
MF:C24H26O8
MW:442.458447933197
CID:927665
PubChem ID:272177
Update Time:2025-04-19

dipropyl 2,3-bis(benzoyloxy)butanedioate Chemical and Physical Properties

Names and Identifiers

    • dipropyl 2,3-bis(benzoyloxy)butanedioate
    • NSC116446
    • NSC-116446
    • 4202-11-3
    • DTXSID50297509
    • Inchi: 1S/C24H26O8/c1-3-15-29-23(27)19(31-21(25)17-11-7-5-8-12-17)20(24(28)30-16-4-2)32-22(26)18-13-9-6-10-14-18/h5-14,19-20H,3-4,15-16H2,1-2H3
    • InChI Key: WJVGVZHPLAQWLG-UHFFFAOYSA-N
    • SMILES: O(C(C1C=CC=CC=1)=O)C(C(=O)OCCC)C(C(=O)OCCC)OC(C1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 442.16278
  • Monoisotopic Mass: 442.16276778g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 15
  • Complexity: 566
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • PSA: 105.2
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