Cas no 8006-22-2 (Benzoic acid,3,4,5-trihydroxy-, zinc salt, basic)
8006-22-2 structure
Product Name:Benzoic acid,3,4,5-trihydroxy-, zinc salt, basic
CAS No:8006-22-2
MF:C14H10O10Zn
MW:403.6322016716
CID:721526
PubChem ID:54684715
Update Time:2025-04-19
Benzoic acid,3,4,5-trihydroxy-, zinc salt, basic Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,3,4,5-trihydroxy-, zinc salt, basic
- ZINC GALLATE
- zinc,4-carboxy-2,6-dihydroxyphenolate
- CTK5E7429
- EINECS 232-346-5
- Gallic acid,zinc salt,basic
- zinc;4-carboxy-2,6-dihydroxyphenolate
- 8006-22-2
- Gallic acid, zinc salt, basic
- DTXSID30230055
- SCHEMBL438022
-
- Inchi： 1S/2C7H6O5.Zn/c2*8-4-1-3(7(11)12)2-5(9)6(4)10;/h2*1-2,8-10H,(H,11,12);/q;;+2/p-2
- InChI Key： RKSNLJBWLIWZID-UHFFFAOYSA-L
- SMILES： [Zn+2].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: 401.95700
- Monoisotopic Mass: 401.956538g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 25
- Rotatable Bond Count: 2
- Complexity: 169
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 202?2
Experimental Properties
- PSA: 173.98000
- LogP: 0.84650
Benzoic acid,3,4,5-trihydroxy-, zinc salt, basic Related Literature
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
-
Xixi Li,Nanwei Zhu,Ruohan Li,Qinpu Zhang Anal. Methods, 2020,12, 3376-3381
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
8006-22-2 (Benzoic acid,3,4,5-trihydroxy-, zinc salt, basic) Related Products
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