Cas no 101012-86-6 (Benzoic acid,4-(1,1-dimethylethyl)-, zinc salt, basic)
101012-86-6 structure
Product Name:Benzoic acid,4-(1,1-dimethylethyl)-, zinc salt, basic
CAS No:101012-86-6
MF:C22H26O4Zn
MW:419.848443508148
CID:191631
PubChem ID:78676
Update Time:2025-04-19
Benzoic acid,4-(1,1-dimethylethyl)-, zinc salt, basic Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,4-(1,1-dimethylethyl)-, zinc salt, basic
- 309-786-2
- benzoate, 4-(1,1-dimethylethyl)-, zinc salt (1:1)
- Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt
- Benzoic acid, p-tert-butyl-, zinc salt
- EINECS 309-786-2
- EINECS 225-628-4
- DTXSID9063661
- 4980-54-5
- Zinc p-tert-butylbenzoate
- Zinc p-t-butylbenzoate
- SCHEMBL205290
- Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt (2:1)
- Benzoic acid, 4-(1,1-dimethylethyl)-, zinc salt, basic
- NS00081956
- 101012-86-6
- zinc 4-tert-butylbenzoate
- SU96M37K5M
- zinc;4-tert-butylbenzoate
-
- Inchi： 1S/2C11H14O2.Zn/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;/h2*4-7H,1-3H3,(H,12,13);/q;;+2/p-2
- InChI Key： LYSLZRDZOBAUFL-UHFFFAOYSA-L
- SMILES： [Zn+2].[O-]C(C1C=CC(=CC=1)C(C)(C)C)=O.[O-]C(C1C=CC(=CC=1)C(C)(C)C)=O
Computed Properties
- Exact Mass: 241.02069
- Monoisotopic Mass: 418.112251g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 27
- Rotatable Bond Count: 2
- Complexity: 177
- 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: 80.3?2
Experimental Properties
- PSA: 40.13
Benzoic acid,4-(1,1-dimethylethyl)-, zinc salt, basic Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
101012-86-6 (Benzoic acid,4-(1,1-dimethylethyl)-, zinc salt, basic) Related Products
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