| CAS Number | 926248-01-3 |
| Catalog Number | AG01BFCR(AGN-PC-0WCVJM) |
| Chemical Name | 3-(Dimethylsulfamoyl)-4-Methylbenzoic Acid |
| IUPAC Name | 3-(dimethylsulfamoyl)-4-methylbenzoic acid |
| InChI | InChI=1S/C10H13NO4S/c1-7-4-5-8(10(12)13)6-9(7)16(14,15)11(2)3/h4-6H,1-3H3,(H,12,13) |
| InChI Key | RMMRRQKZWHODFF-UHFFFAOYSA-N |
| MDL Number | MFCD09042889 |
| Molecular Formula | C10H13NO4S |
| Molecular Weight | 243.2795 |
| SMILES | CN(S(=O)(C1=CC(C(O)=O)=CC=C1C)=O)C |
| Synonyms | 3-(dimethylsulfamoyl)-4-methylbenzoic acid,
926248-01-3,
3-[(DIMETHYLAMINO)SULFONYL]-4-METHYLBENZOIC ACID,
CTK6B9711,
ALBB-028118,
MFCD09042889,
STL468858,
ZINC11848440,
AKOS000127258,
MCULE-3106263553,
NS-03461,
benzoic acid, 3-[(dimethylamino)sulfonyl]-4-methyl-,
|
| Complexity | 358 |
| 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 | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number