| CAS Number | 1909316-80-8 |
| Catalog Number | AG01C25V |
| Chemical Name | 2-(pyridin-4-yl)oxan-4-yl methanesulfonate |
| IUPAC Name | (2-pyridin-4-yloxan-4-yl) methanesulfonate |
| InChI | InChI=1S/C11H15NO4S/c1-17(13,14)16-10-4-7-15-11(8-10)9-2-5-12-6-3-9/h2-3,5-6,10-11H,4,7-8H2,1H3 |
| InChI Key | CRVIFIQUWFKOQI-UHFFFAOYSA-N |
| MDL Number | MFCD29054922 |
| Molecular Formula | C11H15NO4S |
| Molecular Weight | 257.3061 |
| SMILES | CS(OC1CC(C2=CC=NC=C2)OCC1)(=O)=O |
| Synonyms | 2-(Pyridin-4-yl)oxan-4-yl methanesulfonate,
1909316-80-8,
|
| Complexity | 332 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.304g/mol |
| Monoisotopic Mass | 257.072g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
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