| CAS Number | 1098366-68-7 |
| Catalog Number | AG01EHC1 |
| Chemical Name | 4-[(Dimethylsulfamoyl)methyl]benzoic Acid |
| IUPAC Name | 4-(dimethylsulfamoylmethyl)benzoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-11(2)16(14,15)7-8-3-5-9(6-4-8)10(12)13/h3-6H,7H2,1-2H3,(H,12,13) |
| InChI Key | NKPRFCUTOQJLGC-UHFFFAOYSA-N |
| MDL Number | MFCD11647510 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CN(S(=O)(=O)Cc1ccc(cc1)C(=O)O)C |
| Synonyms | 4-[(Dimethylsulfamoyl)methyl]benzoic acid,
1098366-68-7,
AKOS009159092,
|
| Complexity | 336 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.057g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.277g/mol |
| Monoisotopic Mass | 243.057g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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Certificate of Analysis
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