| CAS Number | 933735-41-2 |
| Catalog Number | AG019W5W(AGN-PC-0WO86P) |
| Chemical Name | 3-(Dimethylsulfamoyl)propanoic acid |
| IUPAC Name | 3-(dimethylsulfamoyl)propanoic acid |
| InChI | InChI=1S/C5H11NO4S/c1-6(2)11(9,10)4-3-5(7)8/h3-4H2,1-2H3,(H,7,8) |
| InChI Key | XFRUNZANVRBDAP-UHFFFAOYSA-N |
| MDL Number | MFCD11169120 |
| Molecular Formula | C5H11NO4S |
| Molecular Weight | 181.2101 |
| SMILES | CN(S(CCC(O)=O)(=O)=O)C |
| Synonyms | 3-(dimethylsulfamoyl)propanoic acid,
933735-41-2,
AC1Q3X2E,
SCHEMBL11100542,
CTK6I1299,
ZINC20245205,
AKOS009206841,
MCULE-6720085679,
NE17826,
EN300-50631,
AB01003795-01,
Z752370824,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.206g/mol |
| Monoisotopic Mass | 181.041g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number