| CAS Number | 850090-13-0 |
| Catalog Number | AG00IDIB(AGN-PC-0UWI7W) |
| Chemical Name | Propanoic acid, 3-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl 3-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]propanoate |
| InChI | InChI=1S/C18H28O7S/c1-15-5-7-16(8-6-15)26(20,21)24-14-13-23-12-11-22-10-9-17(19)25-18(2,3)4/h5-8H,9-14H2,1-4H3 |
| InChI Key | ATHTXRBMNTZSMB-UHFFFAOYSA-N |
| MDL Number | MFCD27635184 |
| Molecular Formula | C18H28O7S |
| Molecular Weight | 388.4757 |
| SMILES | O=C(OC(C)(C)C)CCOCCOCCOS(=O)(C1=CC=C(C)C=C1)=O |
| Synonyms | Tos-PEG3-t-butyl ester,
850090-13-0,
tert-Butyl 3-(2-(2-(tosyloxy)ethoxy)ethoxy)propanoate,
BIPG1862,
SCHEMBL20529483,
MFCD27635184,
ZINC96503410,
AKOS030630048,
BP-22006,
A1-06427,
3-{2-[2-(Toluene-4-sulfonyloxy)-ethoxy]-ethoxy}-propionic acid tert-butyl ester,
Propanoic acid, 3-[2-[2-[[(4-methylphenyl)sulfonyl]oxy]ethoxy]ethoxy]-,1,1-dimethylethyl ester,
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| Complexity | 497 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 388.156g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 388.475g/mol |
| Monoisotopic Mass | 388.156g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 96.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number