Cas no 57206-57-2 (Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1))

Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1) structure
57206-57-2 structure
Product Name:Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1)
CAS No:57206-57-2
MF:C21H15BiO15
MW:716.315184831619
CID:372735
PubChem ID:54713299
Update Time:2025-04-19

Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1) Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1)
    • bismuth(3+) gallate
    • Tris(3,4,5-trihydroxybenzoic acid)bismuth(III) salt
    • 57206-57-2
    • Bismuth(3+)gallate
    • bismuth;4-carboxy-2,6-dihydroxyphenolate
    • Inchi: 1S/3C7H6O5.Bi/c3*8-4-1-3(7(11)12)2-5(9)6(4)10;/h3*1-2,8-10H,(H,11,12);/q;;;+3/p-3
    • InChI Key: SZDBTTDDEMLCSP-UHFFFAOYSA-K
    • SMILES: [Bi+3].OC1C(=C(C=C(C(=O)O)C=1)O)[O-].OC1C(=C(C=C(C(=O)O)C=1)O)[O-].OC1C(=C(C=C(C(=O)O)C=1)O)[O-]

Computed Properties

  • Exact Mass: 716.02100
  • Monoisotopic Mass: 716.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 9
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 37
  • Rotatable Bond Count: 3
  • Complexity: 169
  • Covalently-Bonded Unit Count: 4
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 303A^2

Experimental Properties

  • Boiling Point: 501.1°Cat760mmHg
  • Flash Point: 271°C
  • PSA: 302.46000
  • LogP: -2.49930
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