Cas no 100559-69-1 (Bis(4-methoxycarbonylphenyl) Benzene-1,2-dicarboxylate)

Bis(4-methoxycarbonylphenyl) Benzene-1,2-dicarboxylate structure
100559-69-1 structure
Product Name:Bis(4-methoxycarbonylphenyl) Benzene-1,2-dicarboxylate
CAS No:100559-69-1
MF:C24H18O8
MW:434.394927501678
CID:1128182
PubChem ID:13878972
Update Time:2025-04-20

Bis(4-methoxycarbonylphenyl) Benzene-1,2-dicarboxylate Chemical and Physical Properties

Names and Identifiers

    • Bis(4-methoxycarbonylphenyl) Benzene-1,2-dicarboxylate
    • SCHEMBL9480620
    • DTXSID40551748
    • Bis[4-(methoxycarbonyl)phenyl] benzene-1,2-dicarboxylate
    • 100559-69-1
    • Inchi: 1S/C24H18O8/c1-29-21(25)15-7-11-17(12-8-15)31-23(27)19-5-3-4-6-20(19)24(28)32-18-13-9-16(10-14-18)22(26)30-2/h3-14H,1-2H3
    • InChI Key: YGECDCCVOWUJHJ-UHFFFAOYSA-N
    • SMILES: O(C1C=CC(C(=O)OC)=CC=1)C(C1=CC=CC=C1C(=O)OC1C=CC(C(=O)OC)=CC=1)=O

Computed Properties

  • Exact Mass: 434.10014
  • Monoisotopic Mass: 434.10016753g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 32
  • Rotatable Bond Count: 10
  • Complexity: 616
  • 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: 4.4
  • Topological Polar Surface Area: 105?2

Experimental Properties

  • PSA: 105.2
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