| CAS Number | 15441-08-4 |
| Catalog Number | AG007XLD(AGN-PC-0163YN) |
| Chemical Name | Methyl 3-sulfamoylpropanoate |
| IUPAC Name | methyl 3-sulfamoylpropanoate |
| InChI | InChI=1S/C4H9NO4S/c1-9-4(6)2-3-10(5,7)8/h2-3H2,1H3,(H2,5,7,8) |
| InChI Key | ICTSDDRYJKMPGS-UHFFFAOYSA-N |
| MDL Number | MFCD09734097 |
| Molecular Formula | C4H9NO4S |
| Molecular Weight | 167.1836 |
| SMILES | COC(CCS(N)(=O)=O)=O |
| Synonyms | methyl 3-sulfamoylpropanoate,
15441-08-4,
3-sulfamoyl-propionic acid methyl ester,
Propanoic acid, 3-(aminosulfonyl)-, methyl ester,
methyl 3-(aminosulfonyl)propanoate,
SCHEMBL1621069,
CTK0E7845,
DTXSID00588499,
ZINC22209935,
AKOS000144804,
NE60334,
Z227905612,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 167.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 167.179g/mol |
| Monoisotopic Mass | 167.025g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.2 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number