| CAS Number | 328038-28-4 |
| Catalog Number | AG019GJM(AGN-PC-0KBJHN) |
| Chemical Name | 4-[bis(2-methoxyethyl)sulfamoyl]benzoic acid |
| IUPAC Name | 4-[bis(2-methoxyethyl)sulfamoyl]benzoic acid |
| InChI | InChI=1S/C13H19NO6S/c1-19-9-7-14(8-10-20-2)21(17,18)12-5-3-11(4-6-12)13(15)16/h3-6H,7-10H2,1-2H3,(H,15,16) |
| InChI Key | FUBAFUGQTVAQJR-UHFFFAOYSA-N |
| MDL Number | MFCD02705288 |
| Molecular Formula | C13H19NO6S |
| Molecular Weight | 317.3581 |
| SMILES | COCCN(S(C1=CC=C(C(O)=O)C=C1)(=O)=O)CCOC |
| Synonyms | 4-[bis(2-methoxyethyl)sulfamoyl]benzoic Acid,
328038-28-4,
4-(N,N-bis(2-methoxyethyl)sulfamoyl)benzoic acid,
AC1M1GUK,
AC1Q4FVI,
CTK7B3220,
ZINC2455246,
AKOS000121834,
MCULE-7056350888,
EN300-00387,
L-3118,
Z53038481,
F1386-0336,
4-[BIS-(2-METHOXY-ETHYL)-SULFAMOYL]-BENZOIC ACID,
CID2049566,
|
| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 317.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 21 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 317.356g/mol |
| Monoisotopic Mass | 317.093g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number