| CAS Number | 809280-27-1 |
| Catalog Number | AG019N4W(AGN-PC-0WOD4M) |
| Chemical Name | 2-Methanesulfonylpropanoic acid |
| IUPAC Name | 2-methylsulfonylpropanoic acid |
| InChI | InChI=1S/C4H8O4S/c1-3(4(5)6)9(2,7)8/h3H,1-2H3,(H,5,6) |
| InChI Key | RBKUOSVTNSIAAB-UHFFFAOYSA-N |
| MDL Number | MFCD09932020 |
| Molecular Formula | C4H8O4S |
| Molecular Weight | 152.1689 |
| SMILES | CC(S(C)(=O)=O)C(O)=O |
| Synonyms | 2-methanesulfonylpropanoic acid,
2-(methylsulfonyl)propanoic acid,
809280-27-1,
AC1Q1LH7,
SCHEMBL12239,
CTK5C1429,
Propanoic acid,3-(methylsulfonyl)-,
AKOS000175740,
AKOS016903115,
MCULE-7357476405,
NE14631,
EN300-39405,
AB01000593-01,
645-83-0,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.164g/mol |
| Monoisotopic Mass | 152.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number