Cas no 90923-51-6 (5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid)
90923-51-6 structure
Product Name:5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid
CAS No:90923-51-6
MF:C10H11NO6S
MW:273.26244187355
CID:2626624
PubChem ID:257553
Update Time:2025-04-21
5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid Chemical and Physical Properties
Names and Identifiers
-
- 90923-51-6
- DTXSID50920062
- NSC85660
- SCHEMBL13451131
- NSC-85660
- 5-(ethylsulfamoyl)benzene-1,3-dicarboxylic acid
- 5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid
-
- Inchi： 1S/C10H11NO6S/c1-2-11-18(16,17)8-4-6(9(12)13)3-7(5-8)10(14)15/h3-5,11H,2H2,1H3,(H,12,13)(H,14,15)
- InChI Key： CXKNEFNHRUCBAY-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(=O)O)C=C(C(=O)O)C=1)(NCC)(=O)=O
Computed Properties
- Exact Mass: 273.031
- Monoisotopic Mass: 273.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 404
- 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: 0.3
- Topological Polar Surface Area: 129?2
Experimental Properties
- Density: 1.504
- Boiling Point: 561°C at 760 mmHg
- Flash Point: 293.1°C
- Refractive Index: 1.587
- PSA: 129.15000
- LogP: 1.85290
5-(Ethylsulfamoyl)benzene-1,3-dicarboxylic acid Related Literature
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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