| CAS Number | 926243-08-5 |
| Catalog Number | AG019X6L |
| Chemical Name | 2-Hydroxy-5-methanesulfonamidobenzoic acid |
| IUPAC Name | 2-hydroxy-5-(methanesulfonamido)benzoic acid |
| InChI | InChI=1S/C8H9NO5S/c1-15(13,14)9-5-2-3-7(10)6(4-5)8(11)12/h2-4,9-10H,1H3,(H,11,12) |
| InChI Key | BLKPCFNDGFDHEM-UHFFFAOYSA-N |
| MDL Number | MFCD00592552 |
| Molecular Formula | C8H9NO5S |
| Molecular Weight | 231.2258 |
| SMILES | OC1=C(C(=O)O)C=C(C=C1)NS(=O)(=O)C |
| Synonyms | 2-hydroxy-5-methanesulfonamidobenzoic acid,
926243-08-5,
AC1Q4GPK,
SCHEMBL14594642,
CTK7I6870,
ZINC11736406,
AKOS000132789,
MB01332,
MCULE-8663137968,
NE32667,
EN300-54186,
|
| Complexity | 333 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.222g/mol |
| Monoisotopic Mass | 231.02g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number