Cas no 170115-17-0 (Tert-Butyl 3-oxo-3-(thiophen-2-yl)propanoate)
170115-17-0 structure
Product Name:Tert-Butyl 3-oxo-3-(thiophen-2-yl)propanoate
CAS No:170115-17-0
MF:C11H14O3S
MW:226.292062282562
CID:2131962
Update Time:2023-08-04
Tert-Butyl 3-oxo-3-(thiophen-2-yl)propanoate Chemical and Physical Properties
Names and Identifiers
-
- tert-butyl 3-oxo-3-(thiophen-2-yl)propanoate
- tert-Butyl b-oxo-2-thiophenepropanoate
- C11H14O3S
- Y6085
- Tert-Butyl 3-oxo-3-(thiophen-2-yl)propanoate
-
- Inchi： 1S/C11H14O3S/c1-11(2,3)14-10(13)7-8(12)9-5-4-6-15-9/h4-6H,7H2,1-3H3
- InChI Key： FUKFQQXUTHCSIG-UHFFFAOYSA-N
- SMILES： S1C=CC=C1C(CC(=O)OC(C)(C)C)=O
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 5
- Complexity: 255
- Topological Polar Surface Area: 71.6
Tert-Butyl 3-oxo-3-(thiophen-2-yl)propanoate Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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