Cas no 99791-31-8 (Dimethyl 5-sulfamoylbenzene-1,3-dicarboxylate)
99791-31-8 structure
Product Name:Dimethyl 5-sulfamoylbenzene-1,3-dicarboxylate
CAS No:99791-31-8
MF:C10H11NO6S
MW:273.26244187355
CID:2821065
Update Time:2023-08-07
Dimethyl 5-sulfamoylbenzene-1,3-dicarboxylate Chemical and Physical Properties
Names and Identifiers
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- Dimethyl 5-sulfamoylbenzene-1,3-dicarboxylate
- 1,3-Benzenedicarboxylic acid, 5-(aminosulfonyl)-, dimethyl ester
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- Inchi： 1S/C10H11NO6S/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)18(11,14)15/h3-5H,1-2H3,(H2,11,14,15)
- InChI Key： PSMJJKZEPWXRHW-UHFFFAOYSA-N
- SMILES： S(C1C=C(C(=O)OC)C=C(C(=O)OC)C=1)(N)(=O)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 18
- Rotatable Bond Count: 5
- Complexity: 402
- XLogP3: 0.2
- Topological Polar Surface Area: 121
Dimethyl 5-sulfamoylbenzene-1,3-dicarboxylate Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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