Cas no 95895-51-5 (1,4-Oxathian-2-one, 3-acetyl- (9CI))
95895-51-5 structure
Product Name:1,4-Oxathian-2-one, 3-acetyl- (9CI)
CAS No:95895-51-5
MF:C6H8O3S
MW:160.190920829773
CID:799903
Update Time:2024-02-01
1,4-Oxathian-2-one, 3-acetyl- (9CI) Chemical and Physical Properties
Names and Identifiers
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- 1,4-Oxathian-2-one, 3-acetyl- (9CI)
- 3-acetyl-1,4-oxathian-2-one
- 1,4-Oxathian-2-one, 3-acetyl-
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- Inchi： 1S/C6H8O3S/c1-4(7)5-6(8)9-2-3-10-5/h5H,2-3H2,1H3
- InChI Key： JINIHSOSRPKMCU-UHFFFAOYSA-N
- SMILES： O1CCSC(C(C)=O)C1=O
Computed Properties
- Exact Mass: 160.019
- Monoisotopic Mass: 160.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 166
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 68.7A^2
1,4-Oxathian-2-one, 3-acetyl- (9CI) Related Literature
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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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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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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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