Cas no 872719-70-5 (1,2,3-Benzenetricarboxylic acid, compd. with 4,4'-bipyridine (1:1))

1,2,3-Benzenetricarboxylic acid, compd. with 4,4'-bipyridine (1:1) structure
872719-70-5 structure
Product Name:1,2,3-Benzenetricarboxylic acid, compd. with 4,4'-bipyridine (1:1)
CAS No:872719-70-5
MF:C19H14N2O6
MW:366.324265003204
CID:1871252
PubChem ID:71413251
Update Time:2025-04-21

1,2,3-Benzenetricarboxylic acid, compd. with 4,4'-bipyridine (1:1) Chemical and Physical Properties

Names and Identifiers

    • 1,2,3-Benzenetricarboxylic acid, compd. with 4,4'-bipyridine (1:1)
    • benzene-1,2,3-tricarboxylic acid,4-pyridin-4-ylpyridine
    • benzene-1,2,3-tricarboxylic acid-4,4'-bipyridine (1/1)
    • 872719-70-5
    • Benzene-1,2,3-tricarboxylic acid--4,4'-bipyridine (1/1)
    • DTXSID50832777
    • Inchi: 1S/C10H8N2.C9H6O6/c1-5-11-6-2-9(1)10-3-7-12-8-4-10;10-7(11)4-2-1-3-5(8(12)13)6(4)9(14)15/h1-8H;1-3H,(H,10,11)(H,12,13)(H,14,15)
    • InChI Key: OYXMVAROHCRZFM-UHFFFAOYSA-N
    • SMILES: OC(C1C(C(=O)O)=CC=CC=1C(=O)O)=O.N1C=CC(=CC=1)C1C=CN=CC=1

Computed Properties

  • Exact Mass: 366.08518617Da
  • Monoisotopic Mass: 366.08518617Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 383
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 138?2
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