| CAS Number | 247078-58-6 |
| Catalog Number | AG002P4U(AGN-PC-0WBNFJ) |
| Chemical Name | Isopropyl ((1S,4R)-7,7-dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonate |
| IUPAC Name | propan-2-yl [(1S,4R)-7,7-dimethyl-2-oxo-1-bicyclo[2.2.1]heptanyl]methanesulfonate |
| InChI | InChI=1S/C13H22O4S/c1-9(2)17-18(15,16)8-13-6-5-10(7-11(13)14)12(13,3)4/h9-10H,5-8H2,1-4H3/t10-,13-/m1/s1 |
| InChI Key | DEESZEDZRHEUOI-ZWNOBZJWSA-N |
| MDL Number | MFCD29045183 |
| Molecular Formula | C13H22O4S |
| Molecular Weight | 274.3764 |
| SMILES | CC1([C@@]2(C(C[C@H]1CC2)=O)CS(=O)(=O)OC(C)C)C |
| Synonyms | 247078-58-6,
Isopropyl (1S)-(+)-10-Camphorsulfate,
(1S,4R)-2-Oxo-7,7-dimethylbicyclo[2.2.1]heptane-1-methanesulfonic acid isopropyl ester,
Bicyclo[2.2.1]heptane-1-methanesulfonic acid, 7,7-dimethyl-2-oxo-, 1-methylethyl ester, (1S,4R)-,
DEESZEDZRHEUOI-ZWNOBZJWSA-N,
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| Complexity | 458 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.124g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.375g/mol |
| Monoisotopic Mass | 274.124g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number