| CAS Number | 1087784-72-2 |
| Catalog Number | AG019N6Q |
| Chemical Name | 4-(Methoxysulfamoyl)benzoic acid |
| IUPAC Name | 4-(methoxysulfamoyl)benzoic acid |
| InChI | InChI=1S/C8H9NO5S/c1-14-9-15(12,13)7-4-2-6(3-5-7)8(10)11/h2-5,9H,1H3,(H,10,11) |
| InChI Key | MGOWUCRXWXVRCO-UHFFFAOYSA-N |
| MDL Number | MFCD11505469 |
| Molecular Formula | C8H9NO5S |
| Molecular Weight | 231.2258 |
| SMILES | CONS(C1=CC=C(C(O)=O)C=C1)(=O)=O |
| Synonyms | 4-(methoxysulfamoyl)benzoic acid,
4-[(methoxyamino)sulfonyl]benzoic acid,
1087784-72-2,
AC1Q4GEI,
CTK7B4267,
ZINC32627688,
AKOS009091392,
MCULE-9797172466,
NE47146,
EN300-39541,
Z193106484,
|
| Complexity | 312 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.222g/mol |
| Monoisotopic Mass | 231.02g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number