| CAS Number | 854678-70-9 |
| Catalog Number | AG019WPX(AGN-PC-0WO7HT) |
| Chemical Name | 2-(Propane-1-sulfonyl)propanoic acid |
| IUPAC Name | 2-propylsulfonylpropanoic acid |
| InChI | InChI=1S/C6H12O4S/c1-3-4-11(9,10)5(2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8) |
| InChI Key | MRNYYZAKYTZNIZ-UHFFFAOYSA-N |
| MDL Number | MFCD09940594 |
| Molecular Formula | C6H12O4S |
| Molecular Weight | 180.2221 |
| SMILES | CCCS(C(C(O)=O)C)(=O)=O |
| Synonyms | 2-(propane-1-sulfonyl)propanoic acid,
854678-70-9,
AC1Q2YII,
SCHEMBL1620572,
CTK6E6429,
AKOS000184399,
AKOS022417044,
MCULE-2314162370,
NE59925,
NCGC00328719-01,
EN300-52768,
AB00997156-01,
AB00997156-03,
Z235355443,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.218g/mol |
| Monoisotopic Mass | 180.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number