Cas no 23046-95-9 (Pyrazinetricarboxylic acid)

Pyrazinetricarboxylic acid structure
Pyrazinetricarboxylic acid structure
Product Name:Pyrazinetricarboxylic acid
CAS No:23046-95-9
MF:C7H4N2O6
MW:212.116461753845
CID:1415820
PubChem ID:16638696
Update Time:2025-04-20

Pyrazinetricarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Pyrazinetricarboxylic acid
    • pyrazine-2,3,5-tricarboxylic acid
    • DTXSID20586270
    • 23046-95-9
    • AKOS000279983
    • SCHEMBL2806249
    • Inchi: 1S/C7H4N2O6/c10-5(11)2-1-8-3(6(12)13)4(9-2)7(14)15/h1H,(H,10,11)(H,12,13)(H,14,15)
    • InChI Key: GUSGSZQOULDNJZ-UHFFFAOYSA-N
    • SMILES: OC(C1C(C(=O)O)=NC=C(C(=O)O)N=1)=O

Computed Properties

  • Exact Mass: 212.00692
  • Monoisotopic Mass: 212.00693585g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 3
  • Complexity: 304
  • 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: -0.6
  • Topological Polar Surface Area: 138?2

Experimental Properties

  • PSA: 137.68
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