| CAS Number | 1803604-80-9 |
| Catalog Number | AG01B94R |
| Chemical Name | ethyl 2-(cyclopropanesulfonyl)-2-methylpropanoate |
| IUPAC Name | ethyl 2-cyclopropylsulfonyl-2-methylpropanoate |
| InChI | InChI=1S/C9H16O4S/c1-4-13-8(10)9(2,3)14(11,12)7-5-6-7/h7H,4-6H2,1-3H3 |
| InChI Key | ZPJMHLBFHVXPPE-UHFFFAOYSA-N |
| MDL Number | MFCD28383777 |
| Molecular Formula | C9H16O4S |
| Molecular Weight | 220.2859 |
| SMILES | CCOC(C(S(C1CC1)(=O)=O)(C)C)=O |
| Synonyms | ethyl 2-(cyclopropanesulfonyl)-2-methylpropanoate,
1803604-80-9,
ZINC238860513,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.283g/mol |
| Monoisotopic Mass | 220.077g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 68.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
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Certificate of Analysis
Lot Number