Cas no 16093-57-5 (Butanedioic acid, bis(4-methylphenyl) ester)

Butanedioic acid, bis(4-methylphenyl) ester structure
16093-57-5 structure
Product Name:Butanedioic acid, bis(4-methylphenyl) ester
CAS No:16093-57-5
MF:C18H18O4
MW:298.333125591278
CID:1340376
PubChem ID:14740597
Update Time:2025-04-20

Butanedioic acid, bis(4-methylphenyl) ester Chemical and Physical Properties

Names and Identifiers

    • Butanedioic acid, bis(4-methylphenyl) ester
    • bis(4-methylphenyl) butanedioate
    • DTXSID80563486
    • di-(p-cresyl) succinate
    • SCHEMBL645265
    • 16093-57-5
    • Succinic acid di-p-tolyl ester
    • Inchi: 1S/C18H18O4/c1-13-3-7-15(8-4-13)21-17(19)11-12-18(20)22-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3
    • InChI Key: UAZLHAPYHHLDPI-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C)=CC=1)C(CCC(=O)OC1C=CC(C)=CC=1)=O

Computed Properties

  • Exact Mass: 298.12054
  • Monoisotopic Mass: 298.12050905g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 7
  • Complexity: 327
  • 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: 3.7
  • Topological Polar Surface Area: 52.6?2

Experimental Properties

  • PSA: 52.6
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