| CAS Number | 1067230-84-5 |
| Catalog Number | AG01DX9T |
| Chemical Name | [(2R)-1,4-dioxan-2-yl]methyl 4-methylbenzene-1-sulfonate |
| IUPAC Name | 1,4-dioxan-2-ylmethyl 4-methylbenzenesulfonate |
| InChI | InChI=1S/C12H16O5S/c1-10-2-4-12(5-3-10)18(13,14)17-9-11-8-15-6-7-16-11/h2-5,11H,6-9H2,1H3 |
| InChI Key | JOMHMWCSNNGYNP-UHFFFAOYSA-N |
| MDL Number | MFCD22576383 |
| Molecular Formula | C12H16O5S |
| Molecular Weight | 272.3174 |
| SMILES | CC1=CC=C(S(OC[C@@H]2OCCOC2)(=O)=O)C=C1 |
| Synonyms | (+/-)-(1,4-DIOXAN-2-YL)METHYL 4-METHYLBENZENESULFONATE,
917882-64-5,
1067230-84-5,
(R)-(1,4-dioxan-2-yl)methyl 4-methylbenzenesulfonate,
SCHEMBL2205344,
KM3060,
MFCD17018687,
AKOS023091070,
(S)-(1,4-Dioxan-2-yl)methyl 4-methylbenzenesulfonate,
|
| Complexity | 340 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 272.315g/mol |
| Monoisotopic Mass | 272.072g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 70.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number