| CAS Number | 412270-38-3 |
| Catalog Number | AG01AG36(AGN-PC-02ZL3U) |
| Chemical Name | ethyl 5-sulfopentanoate |
| IUPAC Name | ethyl 5-chlorosulfonylpentanoate |
| InChI | InChI=1S/C7H13ClO4S/c1-2-12-7(9)5-3-4-6-13(8,10)11/h2-6H2,1H3 |
| InChI Key | QRCQAYWEVOUZLE-UHFFFAOYSA-N |
| MDL Number | MFCD22208482 |
| Molecular Formula | C7H13ClO4S |
| Molecular Weight | 228.6937 |
| SMILES | CCOC(CCCCS(Cl)(=O)=O)=O |
| Synonyms | ethyl 5-(chlorosulfonyl)pentanoate,
412270-38-3,
SCHEMBL12808755,
|
| 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