| CAS Number | 2140326-42-5 |
| Catalog Number | AG01EHAH(AGN-PC-3H45FN) |
| Chemical Name | Methyl 2-methanesulfonyl-5-methoxybenzoate |
| IUPAC Name | methyl 5-methoxy-2-methylsulfonylbenzoate |
| InChI | InChI=1S/C10H12O5S/c1-14-7-4-5-9(16(3,12)13)8(6-7)10(11)15-2/h4-6H,1-3H3 |
| InChI Key | BVPBRMRWVMDMOE-UHFFFAOYSA-N |
| MDL Number | MFCD31543972 |
| Molecular Formula | C10H12O5S |
| Molecular Weight | 244.2643 |
| SMILES | COc1ccc(c(c1)C(=O)OC)S(=O)(=O)C |
| Synonyms | Methyl 2-methanesulfonyl-5-methoxybenzoate,
2140326-42-5,
|
| Complexity | 343 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.261g/mol |
| Monoisotopic Mass | 244.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
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