| CAS Number | 1878-78-0 |
| Catalog Number | AG019UDA(AGN-PC-041CZE) |
| Chemical Name | 2-(3-methanesulfonylphenoxy)acetic acid |
| IUPAC Name | 2-(3-methylsulfonylphenoxy)acetic acid |
| InChI | InChI=1S/C9H10O5S/c1-15(12,13)8-4-2-3-7(5-8)14-6-9(10)11/h2-5H,6H2,1H3,(H,10,11) |
| InChI Key | WPGSAROSYQXAHP-UHFFFAOYSA-N |
| MDL Number | MFCD12065103 |
| Molecular Formula | C9H10O5S |
| Molecular Weight | 230.2377 |
| SMILES | CS(C1=CC(OCC(O)=O)=CC=C1)(=O)=O |
| Synonyms | 2-(3-methanesulfonylphenoxy)acetic acid,
1878-78-0,
CHEMBL3249300,
CTK7J5517,
DTXSID40879479,
NOCAS_879479,
Phenoxyacetic acid,m-methylsufonyl,
ZINC36325595,
AKOS009470691,
MCULE-7775966099,
NE49662,
EN300-41303,
Z600428328,
AC1Q4GHF,
|
| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.024895g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.24g/mol |
| Monoisotopic Mass | 230.024895g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 89Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number