Cas no 124052-66-0 (Benzene,4-methoxy-2-methyl-1-(methylsulfonyl)-)
124052-66-0 structure
Product Name:Benzene,4-methoxy-2-methyl-1-(methylsulfonyl)-
CAS No:124052-66-0
MF:C9H12O3S
MW:200.254781723022
CID:213325
PubChem ID:183681
Update Time:2025-04-19
Benzene,4-methoxy-2-methyl-1-(methylsulfonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene,4-methoxy-2-methyl-1-(methylsulfonyl)-
- 4-methoxy-2-methyl-1-methylsulfonylbenzene
- Benzene, 4-methoxy-2-methyl-1-(methylsulfonyl)-
- 124052-66-0
- SCHEMBL12036349
- DTXSID30154202
-
- Inchi： 1S/C9H12O3S/c1-7-6-8(12-2)4-5-9(7)13(3,10)11/h4-6H,1-3H3
- InChI Key： FCFWGOXRVWSOGG-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=CC=1C)OC)(=O)=O
Computed Properties
- Exact Mass: 200.05076
- Monoisotopic Mass: 200.05071541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 253
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.9
- Topological Polar Surface Area: 51.8?2
Experimental Properties
- PSA: 43.37
Benzene,4-methoxy-2-methyl-1-(methylsulfonyl)- Related Literature
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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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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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
124052-66-0 (Benzene,4-methoxy-2-methyl-1-(methylsulfonyl)-) Related Products
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