Cas no 102499-76-3 (Copper, diaquabis(a-oxo-2-thiopheneacetato)-,(OC-6-12)- (9CI))

Copper, diaquabis(a-oxo-2-thiopheneacetato)-,(OC-6-12)- (9CI) structure
102499-76-3 structure
Product Name:Copper, diaquabis(a-oxo-2-thiopheneacetato)-,(OC-6-12)- (9CI)
CAS No:102499-76-3
MF:C12H12CuO8S2
MW:411.894883155823
CID:206743
PubChem ID:71301115
Update Time:2025-04-19

Copper, diaquabis(a-oxo-2-thiopheneacetato)-,(OC-6-12)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • Copper, diaquabis(a-oxo-2-thiopheneacetato)-,(OC-6-12)- (9CI)
    • 2-Thiopheneaceticacid, a-oxo-, copper complex
    • copper,2-oxo-2-thiophen-2-ylacetic acid,dihydrate
    • 102499-76-3
    • Bis(thienyl-2-glyoxylato)diaquocuivre [French]
    • Bis(thienyl-2-glyoxylato)diaquocuivre
    • Copper, diaquabis(alpha-oxo-2-thiopheneacetato)-(OC-6-12)-
    • Inchi: 1S/2C6H4O3S.Cu.2H2O/c2*7-5(6(8)9)4-2-1-3-10-4;;;/h2*1-3H,(H,8,9);;2*1H2
    • InChI Key: YETFAFALPUGJSZ-UHFFFAOYSA-N
    • SMILES: [Cu].S1C=CC=C1C(C(=O)O)=O.S1C=CC=C1C(C(=O)O)=O.O.O

Computed Properties

  • Exact Mass: 272.08309
  • Monoisotopic Mass: 410.926957g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 4
  • Hydrogen Bond Acceptor Count: 10
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 4
  • Complexity: 377
  • Covalently-Bonded Unit Count: 5
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 167?2

Experimental Properties

  • PSA: 52.54
  • LogP: 1.89970
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