| CAS Number | 926207-60-5 |
| Catalog Number | AG01A7NX |
| Chemical Name | 2,4-Dimethyl-5-sulfamoylbenzoic acid |
| IUPAC Name | 2,4-dimethyl-5-sulfamoylbenzoic acid |
| InChI | InChI=1S/C9H11NO4S/c1-5-3-6(2)8(15(10,13)14)4-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)(H2,10,13,14) |
| InChI Key | NKIVRTVICDLGDU-UHFFFAOYSA-N |
| MDL Number | MFCD09049327 |
| Molecular Formula | C9H11NO4S |
| Molecular Weight | 229.2529 |
| SMILES | CC1=C(C(O)=O)C=C(S(N)(=O)=O)C(C)=C1 |
| Synonyms | 2,4-dimethyl-5-sulfamoylbenzoic acid,
926207-60-5,
AC1Q2HYM,
CTK7I6646,
ZINC22145351,
AKOS000132866,
MCULE-5433747183,
NE54966,
EN300-59295,
Z737930410,
|
| Complexity | 346 |
| 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 | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number