Bismuth Tribenzoate

1. Names and Identifiers

1.2 Synonyms: Benzoic acid, bismuth(3+) salt; Benzoic acid, bismuth(3+) salt (3:1); Benzoicacid, bismuth(3+) salt (8CI,9CI); BISMUTH BENZOATE; Bismuth tribenzoate; CTK4G4035; DTXSID70184023; EINECS 249-948-9; Tri(benzoyloxy) bismuth(III);

1.7 Inchi: InChI=1S/3C7H6O2.Bi/c3*8-7(9)6-4-2-1-3-5-6;/h3*1-5H,(H,8,9);/q;;;+3/p-3

1.9 Canonical Smiles: C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Bi+3]

1.10 Isomers Smiles: C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].C1=CC=C(C=C1)C(=O)[O-].[Bi+3]

2. MSDS

no data available

no data available

3. Computed Properties

Molecular Weight：572.32058g/mol
Molecular Formula：C₂₁H₁₅BiO₆
Compound Is Canonicalized：True
XLogP3-AA：572.06726
Monoisotopic Mass：572.06726
Complexity：98
Rotatable Bond Count：0
Hydrogen Bond Donor Count：0
Hydrogen Bond Acceptor Count：6
Topological Polar Surface Area：120
Heavy Atom Count：：28
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：4
CACTVS Substructure Key Fingerprint：AAADccB4OAAAAAAAAAAAACAAAAAAAAAAAAAwYMAAAAAAAAABUAAAGgAAAAAADACAmAAwCIAAAACIAiDSCAACAAAkAAAIiAEACMgIJjKAFRCAMQAkwAEIiYeIyCCOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==