| CAS Number | 70018-13-2 |
| Catalog Number | AG00IC01(AGN-PC-0WRA9I) |
| Chemical Name | 1,1-Dimethylethyl 2-(methylsulfonyl)acetate |
| IUPAC Name | tert-butyl 2-methylsulfonylacetate |
| InChI | InChI=1S/C7H14O4S/c1-7(2,3)11-6(8)5-12(4,9)10/h5H2,1-4H3 |
| InChI Key | YJEWKWKAXZRQJE-UHFFFAOYSA-N |
| MDL Number | MFCD19632339 |
| Molecular Formula | C7H14O4S |
| Molecular Weight | 194.2487 |
| SMILES | CC(C)(C)OC(=O)CS(=O)(=O)C |
| Synonyms | tert-Butyl 2-(methylsulfonyl)acetate,
70018-13-2,
SCHEMBL10724862,
MFCD19632339,
ZINC59297942,
AKOS013334151,
AS-41187,
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| Complexity | 252 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.245g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
Lot Number