| CAS Number | 154335-57-6 |
| Catalog Number | AG01C55O(AGN-PC-0Q6OB6) |
| Chemical Name | Ethyl [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate |
| IUPAC Name | ethyl [(1S)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate |
| InChI | InChI=1S/C12H20O4S/c1-4-16-17(14,15)8-12-6-5-9(7-10(12)13)11(12,2)3/h9H,4-8H2,1-3H3/t9?,12-/m1/s1 |
| InChI Key | FXHGNNYOXDWQFY-FFFFSGIJSA-N |
| MDL Number | MFCD29045181 |
| Molecular Formula | C12H20O4S |
| Molecular Weight | 260.3498 |
| SMILES | C(S(OCC)(=O)=O)[C@@]12[C@@](C)(C)[C@@](CC1=O)(CC2)[H] |
| Synonyms | ethyl [(1S)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl]methanesulfonate,
154335-57-6,
Ethyl ((1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate,
N/A,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.348g/mol |
| Monoisotopic Mass | 260.108g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number