Cas no 57234-00-1 (2,2'-Diformyl(3,3'-bithiophene)-4,4'-dicarboxylicacid)

2,2'-Diformyl(3,3'-bithiophene)-4,4'-dicarboxylicacid structure
57234-00-1 structure
Product Name:2,2'-Diformyl(3,3'-bithiophene)-4,4'-dicarboxylicacid
CAS No:57234-00-1
MF:C12H6O6S2
MW:310.302441120148
CID:946674
PubChem ID:1713645
Update Time:2025-04-19

2,2'-Diformyl(3,3'-bithiophene)-4,4'-dicarboxylicacid Chemical and Physical Properties

Names and Identifiers

    • 2,2'-Diformyl(3,3'-bithiophene)-4,4'-dicarboxylicacid
    • 2,2'-DIFORMYL-[3,3'-BITHIOPHENE]-4,4'-DICARBOXYLIC ACID
    • 4-(4-carboxy-2-formylthiophen-3-yl)-5-formylthiophene-3-carboxylic acid
    • 2,2'-diformyl-3,3'-bithiophene-4,4'-dicarboxylic acid
    • 5,5'-diformyl-4,4'-bithiophene-3,3'-dicarboxylic acid
    • AC1LVX8N
    • AG-G-01740
    • AI-942
    • CTK5A6498
    • FT-0609241
    • MolPort-003-802-058
    • 2,2'-Diformyl (3,3'-bithiophene)-4,4'-dicarboxylicacid
    • AI-942/13331569
    • 57234-00-1
    • DB-312979
    • DTXSID80364874
    • Inchi: 1S/C12H6O6S2/c13-1-7-9(5(3-19-7)11(15)16)10-6(12(17)18)4-20-8(10)2-14/h1-4H,(H,15,16)(H,17,18)
    • InChI Key: GSVMNMBCNQBHGI-UHFFFAOYSA-N
    • SMILES: S1C=C(C(=O)O)C(=C1C=O)C1=C(C=O)SC=C1C(=O)O

Computed Properties

  • Exact Mass: 309.96058
  • Monoisotopic Mass: 309.96058025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 400
  • 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: 1.6
  • Topological Polar Surface Area: 165?2

Experimental Properties

  • Density: 1.704
  • Boiling Point: 518.1°C at 760 mmHg
  • Flash Point: 267.1°C
  • Refractive Index: 1.76
  • PSA: 108.74
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