| CAS Number | 863669-56-1 |
| Catalog Number | AG019OK5 |
| Chemical Name | 4-[methoxy(methyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-[methoxy(methyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C9H11NO5S/c1-10(15-2)16(13,14)8-5-3-7(4-6-8)9(11)12/h3-6H,1-2H3,(H,11,12) |
| InChI Key | CJGPRRLAAPLJLX-UHFFFAOYSA-N |
| MDL Number | MFCD07339174 |
| Molecular Formula | C9H11NO5S |
| Molecular Weight | 245.2523 |
| SMILES | CON(S(C1=CC=C(C(O)=O)C=C1)(=O)=O)C |
| Synonyms | 4-[methoxy(methyl)sulfamoyl]benzoic acid,
863669-56-1,
4-{[methoxy(methyl)amino]sulfonyl}benzoic acid,
AC1OFJPY,
AC1Q4GE7,
SCHEMBL3715136,
CTK7B4195,
HMS1744E20,
ZINC4218162,
AKOS009000025,
MCULE-2815686533,
NE24150,
EN300-14248,
Z89357992,
CID7130602,
4-(methoxy-methyl-sulfamoyl)benzoic Acid,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.249g/mol |
| Monoisotopic Mass | 245.036g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 92.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number