| CAS Number | 1424042-10-3 |
| Catalog Number | AG01A3Q9 |
| Chemical Name | benzyl 3-(methylsulfamoyl)propanoate |
| IUPAC Name | benzyl 3-(methylsulfamoyl)propanoate |
| InChI | InChI=1S/C11H15NO4S/c1-12-17(14,15)8-7-11(13)16-9-10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3 |
| InChI Key | VUZHNCVQSGGBKO-UHFFFAOYSA-N |
| MDL Number | MFCD23144066 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CNS(CCC(OCC1=CC=CC=C1)=O)(=O)=O |
| Synonyms | benzyl 3-(methylsulfamoyl)propanoate,
1424042-10-3,
ZINC88613682,
AKOS033426238,
MCULE-2769573400,
NE42598,
Z1558209883,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 80.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number