| CAS Number | 716358-47-3 |
| Catalog Number | AG019P2R(AGN-PC-0LTU5P) |
| Chemical Name | 4-[(2-methoxyethyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-(2-methoxyethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H13NO5S/c1-16-7-6-11-17(14,15)9-4-2-8(3-5-9)10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13) |
| InChI Key | AANXAESNLDUYRC-UHFFFAOYSA-N |
| MDL Number | MFCD05804385 |
| Molecular Formula | C10H13NO5S |
| Molecular Weight | 259.2789 |
| SMILES | COCCNS(C1=CC=C(C(O)=O)C=C1)(=O)=O |
| Synonyms | 4-[(2-methoxyethyl)sulfamoyl]benzoic acid,
716358-47-3,
4-{[(2-methoxyethyl)amino]sulfonyl}benzoic acid,
4-(2-methoxyethylsulfamoyl)benzoic Acid,
AC1O5TVZ,
AC1Q4G6N,
SCHEMBL13543488,
CTK7B3616,
ZINC6697669,
AKOS000123701,
MCULE-9559756502,
NE23344,
FT-0729563,
EN300-18357,
Z57616700,
CID6463535,
4-[[(2-methoxyethyl)amino]sulfonyl]Benzoic acid,
|
| Complexity | 340 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.276g/mol |
| Monoisotopic Mass | 259.051g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number