Cas no 57665-63-1 (Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1))
57665-63-1 structure
Product Name:Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1)
CAS No:57665-63-1
MF:C9H11NaO6S
MW:270.23481297493
CID:366568
PubChem ID:90473678
Update Time:2025-04-19
Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1)
- 3,4,5-TRIMETHOXY BENZENE SULFONIC ACID SODIUM SALT
- sodium,3,4,5-trimethoxybenzenesulfonic acid
- 3,4,5-TRIMETHOXYBENZENESULFONIC ACID SODIUM
- Sodium 3,4,5-trimethoxybenzenesulfonate
- 3,4,5-Trimethoxybenzensulfonic acid,sodium salt
- 3,4,5-TRIMETHOXYBENZENESULFONIC ACID SODIUM SALT
- 57665-63-1
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- Inchi： 1S/C9H12O6S.Na/c1-13-7-4-6(16(10,11)12)5-8(14-2)9(7)15-3;/h4-5H,1-3H3,(H,10,11,12);/q;+1/p-1
- InChI Key： ZAISGJBPFOSIJF-UHFFFAOYSA-M
- SMILES： S(C1C=C(C(=C(C=1)OC)OC)OC)(=O)(=O)[O-].[Na+]
Computed Properties
- Exact Mass: 270.01700
- Monoisotopic Mass: 271.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 17
- Rotatable Bond Count: 4
- Complexity: 295
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 90.4A^2
Experimental Properties
- PSA: 93.27000
- LogP: 1.69730
Benzenesulfonic acid,3,4,5-trimethoxy-, sodium salt (1:1) 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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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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