| CAS Number | 73017-81-9 |
| Catalog Number | AG01A51R |
| Chemical Name | Methyl 2-methanesulfonylpropanoate |
| IUPAC Name | methyl 2-methylsulfonylpropanoate |
| InChI | InChI=1S/C5H10O4S/c1-4(5(6)9-2)10(3,7)8/h4H,1-3H3 |
| InChI Key | QJHLMQITLBMLKQ-UHFFFAOYSA-N |
| MDL Number | MFCD16045024 |
| Molecular Formula | C5H10O4S |
| Molecular Weight | 166.1955 |
| SMILES | CC(S(=O)(C)=O)C(OC)=O |
| Synonyms | methyl 2-methanesulfonylpropanoate,
73017-81-9,
Methyl alpha-(methylsulfonyl)propionate,
SCHEMBL17451870,
AKOS010486195,
NE23681,
2-(Methylsulfonyl)propionic acid methyl ester,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 166.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.191g/mol |
| Monoisotopic Mass | 166.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number