| CAS Number | 143224-95-7 |
| Catalog Number | AG019THW(AGN-PC-0PTOCY) |
| Chemical Name | 3-methanesulfonyl-2-methylpropanoic acid |
| IUPAC Name | 2-methyl-3-methylsulfonylpropanoic acid |
| InChI | InChI=1S/C5H10O4S/c1-4(5(6)7)3-10(2,8)9/h4H,3H2,1-2H3,(H,6,7) |
| InChI Key | AUWZNFBJMNOSEW-UHFFFAOYSA-N |
| MDL Number | MFCD12823567 |
| Molecular Formula | C5H10O4S |
| Molecular Weight | 166.1955 |
| SMILES | CC(C(O)=O)CS(C)(=O)=O |
| Synonyms | 3-methanesulfonyl-2-methylpropanoic acid,
143224-95-7,
Propanoic acid, 2-methyl-3-(methylsulfonyl)-, (S)-,
ACMC-20n2g6,
SCHEMBL1601477,
AUWZNFBJMNOSEW-UHFFFAOYSA-N,
143291-14-9,
AKOS010251142,
MCULE-2992876868,
NE15585,
3-Methanesulfonyl-2-methyl-propionic acid,
2-(r,s)-methyl-3-methylsulfonyl propionic acid,
2-(R, S)-methyl-3-methylsulfonyl propionic acid,
F8881-1611,
Z1318516272,
|
| 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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 166.191g/mol |
| Monoisotopic Mass | 166.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number