Cas no 53358-36-4 (Benzoic acid, 4-methyl-, trimethylsilyl ester)
53358-36-4 structure
Product Name:Benzoic acid, 4-methyl-, trimethylsilyl ester
CAS No:53358-36-4
MF:C11H16O2Si
MW:208.329044342041
CID:357506
PubChem ID:12726301
Update Time:2025-04-19
Benzoic acid, 4-methyl-, trimethylsilyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-methyl-, trimethylsilyl ester
- 4-Methylbenzoic acid trimethylsilyl ester
- trimethylsilyl 4-methylbenzoate
- DTXSID10508188
- GKODXEXJNJLBCA-UHFFFAOYSA-N
- p-Toluic acid, trimethylsilyl ester
- p-toluic acid tms ester
- p-Toluic acid, TMS derivative
- 53358-36-4
- Q63393344
-
- Inchi： 1S/C11H16O2Si/c1-9-5-7-10(8-6-9)11(12)13-14(2,3)4/h5-8H,1-4H3
- InChI Key： GKODXEXJNJLBCA-UHFFFAOYSA-N
- SMILES： [Si](C)(C)(C)OC(C1C=CC(C)=CC=1)=O
Computed Properties
- Exact Mass: 208.09198
- Monoisotopic Mass: 208.091956283g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 200
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 26.3?2
Experimental Properties
- PSA: 26.3
Benzoic acid, 4-methyl-, trimethylsilyl ester Related Literature
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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