| CAS Number | 1099184-20-9 |
| Catalog Number | AG01EH5J |
| Chemical Name | 4-[(Methylsulfamoyl)methyl]benzoic Acid |
| IUPAC Name | 4-(methylsulfamoylmethyl)benzoic acid |
| InChI | InChI=1S/C9H11NO4S/c1-10-15(13,14)6-7-2-4-8(5-3-7)9(11)12/h2-5,10H,6H2,1H3,(H,11,12) |
| InChI Key | PPVRXIKRIMCOMD-UHFFFAOYSA-N |
| MDL Number | MFCD11649779 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | CNS(=O)(=O)Cc1ccc(cc1)C(=O)O |
| Synonyms | 4-[(Methylsulfamoyl)methyl]benzoic acid,
1099184-20-9,
|
| Complexity | 312 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.25g/mol |
| Monoisotopic Mass | 229.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 91.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
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Certificate of Analysis
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