| CAS Number | 509094-14-8 |
| Catalog Number | AG019LG8(AGN-PC-015PFS) |
| Chemical Name | 3-[(2-Methoxyethyl)sulfamoyl]benzoic acid |
| IUPAC Name | 3-(2-methoxyethylsulfamoyl)benzoic acid |
| InChI | InChI=1S/C10H13NO5S/c1-16-6-5-11-17(14,15)9-4-2-3-8(7-9)10(12)13/h2-4,7,11H,5-6H2,1H3,(H,12,13) |
| InChI Key | ZLTKOTHXCBWNHJ-UHFFFAOYSA-N |
| MDL Number | MFCD08337773 |
| Molecular Formula | C10H13NO5S |
| Molecular Weight | 259.2789 |
| SMILES | COCCNS(C1=CC(C(O)=O)=CC=C1)(=O)=O |
| Synonyms | 3-[(2-methoxyethyl)sulfamoyl]benzoic acid,
509094-14-8,
3-{[(2-methoxyethyl)amino]sulfonyl}benzoic acid,
AC1Q4G6I,
SCHEMBL2281070,
CTK7B3621,
ZLTKOTHXCBWNHJ-UHFFFAOYSA-N,
ZINC12896237,
AKOS000123799,
MCULE-2248966958,
NE22260,
FT-0733395,
3-[(2-methoxyethyl)aminosulfonyl]benzoic acid,
EN300-31160,
3-[[(2-methoxyethyl)amino]sulfonyl]Benzoic acid,
|
| Complexity | 348 |
| 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