Cas no 545355-48-4 (1,3-Benzenedicarboxylic acid, 5-[(ethylsulfonyl)amino]-, dimethyl ester)
![1,3-Benzenedicarboxylic acid, 5-[(ethylsulfonyl)amino]-, dimethyl ester structure](https://ossimg.kuujia.com/scimg/545500/545355-48-4x500.png)
545355-48-4 structure
Product Name:1,3-Benzenedicarboxylic acid, 5-[(ethylsulfonyl)amino]-, dimethyl ester
CAS No:545355-48-4
MF:C12H15NO6S
MW:301.31560254097
CID:1589589
PubChem ID:4247340
Update Time:2025-04-21
1,3-Benzenedicarboxylic acid, 5-[(ethylsulfonyl)amino]-, dimethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 5-[(ethylsulfonyl)amino]-, dimethyl ester
- SCHEMBL475759
- DB-390333
- AKOS003978351
- 1,3-Dimethyl 5-[(ethylsulfonyl)amino]-1,3-benzenedicarboxylate
- 545355-48-4
-
- Inchi： 1S/C12H15NO6S/c1-4-20(16,17)13-10-6-8(11(14)18-2)5-9(7-10)12(15)19-3/h5-7,13H,4H2,1-3H3
- InChI Key： CJYCDDSMFGZHBM-UHFFFAOYSA-N
- SMILES： S(CC)(NC1C=C(C(=O)OC)C=C(C(=O)OC)C=1)(=O)=O
Computed Properties
- Exact Mass: 301.06205
- Monoisotopic Mass: 301.06200837g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 20
- Rotatable Bond Count: 7
- Complexity: 431
- 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
- XLogP3: 1
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 98.77
1,3-Benzenedicarboxylic acid, 5-[(ethylsulfonyl)amino]-, dimethyl ester Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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