Cas no 35991-68-5 (Benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylicacid)

Benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylicacid structure
35991-68-5 structure
Product Name:Benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylicacid
CAS No:35991-68-5
MF:C12H6O4S2
MW:278.303640842438
CID:2940578
PubChem ID:71014731
Update Time:2025-04-21

Benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylicacid Chemical and Physical Properties

Names and Identifiers

    • Benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylicacid
    • SCHEMBL13859161
    • Benzo[1,2-b:4,5-b']dithiophene-4,8-dicarboxylic acid
    • benzo[1,2-b;4,5-b']dithiophene-4,8-dicarboxylic acid
    • 35991-68-5
    • WOIDRRVHLVDSKF-UHFFFAOYSA-N
    • Inchi: 1S/C12H6O4S2/c13-11(14)7-5-1-3-17-9(5)8(12(15)16)6-2-4-18-10(6)7/h1-4H,(H,13,14)(H,15,16)
    • InChI Key: WOIDRRVHLVDSKF-UHFFFAOYSA-N
    • SMILES: S1C=CC2C(C(=O)O)=C3C(C=CS3)=C(C(=O)O)C1=2

Computed Properties

  • Exact Mass: 277.97075102Da
  • Monoisotopic Mass: 277.97075102Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 350
  • 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
  • Topological Polar Surface Area: 131?2
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