| CAS Number | 851168-78-0 |
| Catalog Number | AG019P3C |
| Chemical Name | 3-(Dimethylsulfamoyl)-4,5-dimethylbenzoic acid |
| IUPAC Name | 3-(dimethylsulfamoyl)-4,5-dimethylbenzoic acid |
| InChI | InChI=1S/C11H15NO4S/c1-7-5-9(11(13)14)6-10(8(7)2)17(15,16)12(3)4/h5-6H,1-4H3,(H,13,14) |
| InChI Key | CGSLGWNCHWGFOV-UHFFFAOYSA-N |
| MDL Number | MFCD06671546 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CN(S(C1=C(C)C(C)=CC(C(O)=O)=C1)(=O)=O)C |
| Synonyms | 3-(dimethylsulfamoyl)-4,5-dimethylbenzoic acid,
851168-78-0,
ZINC6509658,
AKOS008972232,
MCULE-8332431147,
SR-01000051724,
SR-01000051724-1,
Z65519613,
AC1NLSQ7,
CID4963854,
3-(dimethylsulfamoyl)-4,5-dimethyl-benzoic Acid,
|
| Complexity | 385 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072179g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.31g/mol |
| Monoisotopic Mass | 257.072179g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number