Cas no 34450-61-8 (2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-)
34450-61-8 structure
Product Name:2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-
CAS No:34450-61-8
MF:C6H9IO2
MW:240.038934469223
CID:2943489
PubChem ID:5324665
Update Time:2025-04-21
2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- Chemical and Physical Properties
Names and Identifiers
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- SCHEMBL5840738
- DTXSID301308357
- SCHEMBL3240958
- 2-Butenoic acid,3-iodo-,ethyl ester,(2Z)-
- 34450-61-8
- InChI=1/C6H9IO2/c1-3-9-6(8)4-5(2)7/h4H,3H2,1-2H3/b5-4
- Ethyl (2E)-3-iodo-2-butenoate
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- Inchi： 1S/C6H9IO2/c1-3-9-6(8)4-5(2)7/h4H,3H2,1-2H3/b5-4+
- InChI Key： LTFHTHBCTYXEAD-SNAWJCMRSA-N
- SMILES： I/C(/C)=C/C(=O)OCC
Computed Properties
- Exact Mass: 239.96473Da
- Monoisotopic Mass: 239.96473Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 3
- Complexity: 129
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 26.3?2
2-Butenoic acid,3-iodo-,ethyl ester,(2Z)- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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4. 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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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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