| CAS Number | 70074-03-2 |
| Catalog Number | AG01C1D6 |
| Chemical Name | 2,2-dimethylbut-3-en-1-yl methanesulfonate |
| IUPAC Name | 2,2-dimethylbut-3-enyl methanesulfonate |
| InChI | InChI=1S/C7H14O3S/c1-5-7(2,3)6-10-11(4,8)9/h5H,1,6H2,2-4H3 |
| InChI Key | SPSPGOSYWMPBHF-UHFFFAOYSA-N |
| MDL Number | MFCD29047258 |
| Molecular Formula | C7H14O3S |
| Molecular Weight | 178.2493 |
| SMILES | CC(C=C)(COS(C)(=O)=O)C |
| Synonyms | 2,2-dimethylbut-3-en-1-yl methanesulfonate,
70074-03-2,
ZINC299805539,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.246g/mol |
| Monoisotopic Mass | 178.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number