| CAS Number | 1087792-65-1 |
| Catalog Number | AG019N6R |
| Chemical Name | 4-[(2-hydroxypropyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-(2-hydroxypropylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H13NO5S/c1-7(12)6-11-17(15,16)9-4-2-8(3-5-9)10(13)14/h2-5,7,11-12H,6H2,1H3,(H,13,14) |
| InChI Key | XLQRMFVBYXXSRR-UHFFFAOYSA-N |
| MDL Number | MFCD11505470 |
| Molecular Formula | C10H13NO5S |
| Molecular Weight | 259.2789 |
| SMILES | CC(CNS(C1=CC=C(C(O)=O)C=C1)(=O)=O)O |
| Synonyms | 4-[(2-hydroxypropyl)sulfamoyl]benzoic acid,
1087792-65-1,
4-{[(2-hydroxypropyl)amino]sulfonyl}benzoic acid,
AC1Q2BWL,
CTK6A8730,
AKOS005939381,
MCULE-9793004552,
NE38169,
NCGC00334123-01,
EN300-39542,
AB01326785-02,
Z223279034,
4-([(2-hydroxypropyl)amino]sulfonyl)benzoic acid,
|
| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.276g/mol |
| Monoisotopic Mass | 259.051g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 112A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number