| CAS Number | 1202760-84-6 |
| Catalog Number | AG01AIYZ |
| Chemical Name | methyl 6-sulfohexanoate |
| IUPAC Name | methyl 6-chlorosulfonylhexanoate |
| InChI | InChI=1S/C7H13ClO4S/c1-12-7(9)5-3-2-4-6-13(8,10)11/h2-6H2,1H3 |
| InChI Key | VAALRKODFRNCMR-UHFFFAOYSA-N |
| MDL Number | MFCD19160570 |
| Molecular Formula | C7H13ClO4S |
| Molecular Weight | 228.6937 |
| SMILES | COC(CCCCCS(Cl)(=O)=O)=O |
| Synonyms | methyl 6-(chlorosulfonyl)hexanoate,
1202760-84-6,
AKOS006239325,
ZINC100634491,
NE23896,
EN300-79386,
|
| Complexity | 242 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.022g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.687g/mol |
| Monoisotopic Mass | 228.022g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number