| CAS Number | 115175-23-0 |
| Catalog Number | AG01ACC7(AGN-PC-001O00) |
| Chemical Name | 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid |
| IUPAC Name | 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid |
| InChI | InChI=1S/C9H11NO5S/c1-10(2)16(14,15)6-3-4-8(11)7(5-6)9(12)13/h3-5,11H,1-2H3,(H,12,13) |
| InChI Key | YPWWYONXTGDMTK-UHFFFAOYSA-N |
| MDL Number | MFCD11108206 |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.2523 |
| SMILES | CN(S(C1=CC(C(O)=O)=C(O)C=C1)(=O)=O)C |
| Synonyms | 5-(dimethylsulfamoyl)-2-hydroxybenzoic acid,
115175-23-0,
ZINC19998351,
AKOS002682654,
MCULE-6664344735,
NE41886,
5-Dimethylsulfamoyl-2-hydroxy-benzoic acid,
BB 0237893,
Z55901285,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.249g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 103A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number