| CAS Number | 1418634-07-7 |
| Catalog Number | AG01DTSU |
| Chemical Name | 7-methoxy-1,2λ⁶,3-benzoxathiazine-2,2-dione |
| IUPAC Name | 7-methoxy-1,2λ6,3-benzoxathiazine 2,2-dioxide |
| InChI | InChI=1S/C8H7NO4S/c1-12-7-3-2-6-5-9-14(10,11)13-8(6)4-7/h2-5H,1H3 |
| InChI Key | LMEZIMAYKBNSHJ-UHFFFAOYSA-N |
| MDL Number | MFCD31802092 |
| Molecular Formula | C8H7NO4S |
| Molecular Weight | 213.2105 |
| SMILES | COc1ccc2C=NS(=O)(=O)Oc2c1 |
| Synonyms | 1,2,3-Benzoxathiazine, 7-methoxy-, 2,2-dioxide,
1418634-07-7,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.207g/mol |
| Monoisotopic Mass | 213.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 73.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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