| CAS Number | 1157776-47-0 |
| Catalog Number | AG019Y63 |
| Chemical Name | 4-(4-Methanesulfonylphenoxy)butanoic acid |
| IUPAC Name | 4-(4-methylsulfonylphenoxy)butanoic acid |
| InChI | InChI=1S/C11H14O5S/c1-17(14,15)10-6-4-9(5-7-10)16-8-2-3-11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13) |
| InChI Key | BDYYQKIEMMSADG-UHFFFAOYSA-N |
| MDL Number | MFCD12066105 |
| Molecular Formula | C11H14O5S |
| Molecular Weight | 258.2909 |
| SMILES | CS(C1=CC=C(OCCCC(O)=O)C=C1)(=O)=O |
| Synonyms | 4-(4-methanesulfonylphenoxy)butanoic acid,
1157776-47-0,
AC1Q4GJS,
CTK7J3904,
ZINC37847084,
AKOS009990756,
MCULE-3396363556,
NE34485,
EN300-57178,
Z1259041004,
|
| Complexity | 335 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.288g/mol |
| Monoisotopic Mass | 258.056g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 89A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number