| CAS Number | 1350475-37-4 |
| Catalog Number | AG00HTUT(AGN-PC-0WG3Z0) |
| Chemical Name | 4-(Methylsulfonyl)phenethyl methanesulfonate |
| IUPAC Name | 2-(4-methylsulfonylphenyl)ethyl methanesulfonate |
| InChI | InChI=1S/C10H14O5S2/c1-16(11,12)10-5-3-9(4-6-10)7-8-15-17(2,13)14/h3-6H,7-8H2,1-2H3 |
| InChI Key | GKTCLNUKGQMSCS-UHFFFAOYSA-N |
| MDL Number | MFCD29059333 |
| Molecular Formula | C10H14O5S2 |
| Molecular Weight | 278.3452 |
| SMILES | CS(=O)(=O)OCCc1ccc(cc1)S(C)(=O)=O |
| Synonyms | 1350475-37-4,
4-(Methylsulfonyl)phenethyl methanesulfonate,
METHANESULFONIC ACID 2-(4-METHANESULFONYL-PHENYL)-ETHYL ESTER,
MFCD29059333,
ZINC261507202,
CS-0036565,
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| Complexity | 418 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 278.028g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 278.337g/mol |
| Monoisotopic Mass | 278.028g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 94.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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