| CAS Number | 221655-54-5 |
| Catalog Number | AG01FN9S(AGN-PC-3H4BD5) |
| Chemical Name | Ethanol, 2-methoxy-, sulfate (2:1) |
| IUPAC Name | bis(2-methoxyethyl) sulfate |
| InChI | InChI=1S/C6H14O6S/c1-9-3-5-11-13(7,8)12-6-4-10-2/h3-6H2,1-2H3 |
| InChI Key | RGMUCAJQIYCOJM-UHFFFAOYSA-N |
| MDL Number | MFCD32206220 |
| Molecular Formula | C6H14O6S |
| Molecular Weight | 214.2368 |
| SMILES | COCCOS(=O)(OCCOC)=O |
| Synonyms | SCHEMBL9647721,
Ethanol, 2-methoxy-, sulfate (2:1),
Sulfuric acid bis(2-methoxyethyl) ester,
221655-54-5,
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| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.232g/mol |
| Monoisotopic Mass | 214.051g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
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