Cas no 57206-57-2 (Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1))
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
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- 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
Benzoic acid,3,4,5-trihydroxy-, bismuth(3+) salt (3:1) Related Literature
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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