Cas no 166180-59-2 (Ethyl 2,4-dioxo-3-methyl-4-(thien-2-yl)butyrate)
166180-59-2 structure
Product Name:Ethyl 2,4-dioxo-3-methyl-4-(thien-2-yl)butyrate
CAS No:166180-59-2
MF:C11H12O4S
MW:240.275582313538
CID:2153936
Update Time:2023-08-05
Ethyl 2,4-dioxo-3-methyl-4-(thien-2-yl)butyrate Chemical and Physical Properties
Names and Identifiers
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- ethyl 2,4-dioxo-3-methyl-4-(thien-2-yl)butyrate
- Ethyl 2,4-dioxo-3-methyl-4-(thien-2-yl)butyrate
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- Inchi： 1S/C11H12O4S/c1-3-15-11(14)10(13)7(2)9(12)8-5-4-6-16-8/h4-7H,3H2,1-2H3
- InChI Key： BBEMXUBVHGBRKS-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(C(C(C(=O)OCC)=O)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 300
- Topological Polar Surface Area: 88.7
Ethyl 2,4-dioxo-3-methyl-4-(thien-2-yl)butyrate Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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4. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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