| CAS Number | 866997-46-8 |
| Catalog Number | AG01AGOD |
| Chemical Name | 3-Methyl-4-sulfamoylbenzoic acid |
| IUPAC Name | 3-methyl-4-sulfamoylbenzoic acid |
| InChI | InChI=1S/C8H9NO4S/c1-5-4-6(8(10)11)2-3-7(5)14(9,12)13/h2-4H,1H3,(H,10,11)(H2,9,12,13) |
| InChI Key | NLJXDIBQKZNOFJ-UHFFFAOYSA-N |
| MDL Number | MFCD00454357 |
| Molecular Formula | C8H9NO4S |
| Molecular Weight | 215.2264 |
| SMILES | CC1=C(S(N)(=O)=O)C=CC(C(O)=O)=C1 |
| Synonyms | 3-methyl-4-sulfamoylbenzoic acid,
866997-46-8,
3-methyl-4-sulfamoyl-benzoic acid,
AC1Q2EJN,
SCHEMBL1050351,
ZINC58038129,
AKOS033199741,
MCULE-8208755843,
NE47880,
EN300-72407,
Z1259273313,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.223g/mol |
| Monoisotopic Mass | 215.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number