| CAS Number | 107375-91-7 |
| Catalog Number | AG01AA9O(AGN-PC-0WOC19) |
| Chemical Name | 2-(Pentane-1-sulfonyl)acetic acid |
| IUPAC Name | 2-pentylsulfonylacetic acid |
| InChI | InChI=1S/C7H14O4S/c1-2-3-4-5-12(10,11)6-7(8)9/h2-6H2,1H3,(H,8,9) |
| InChI Key | AMINWYUNUZBGNY-UHFFFAOYSA-N |
| MDL Number | MFCD09940130 |
| Molecular Formula | C7H14O4S |
| Molecular Weight | 194.2487 |
| SMILES | CCCCCS(CC(O)=O)(=O)=O |
| Synonyms | 2-(pentane-1-sulfonyl)acetic acid,
107375-91-7,
AC1Q2WOQ,
SCHEMBL1195000,
ZINC19482117,
AKOS000183729,
MCULE-4902734422,
NE23881,
EN300-67568,
Z1259273200,
|
| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.245g/mol |
| Monoisotopic Mass | 194.061g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number