| CAS Number | 929913-27-9 |
| Catalog Number | AG01C4CS |
| Chemical Name | benzyl (1s,3s)-3-(methanesulfonyloxy)cyclobutane-1-carboxylate |
| IUPAC Name | benzyl 3-methylsulfonyloxycyclobutane-1-carboxylate |
| InChI | InChI=1S/C13H16O5S/c1-19(15,16)18-12-7-11(8-12)13(14)17-9-10-5-3-2-4-6-10/h2-6,11-12H,7-9H2,1H3 |
| InChI Key | YFXWCFIJYNAMMJ-UHFFFAOYSA-N |
| MDL Number | MFCD20257323 |
| Molecular Formula | C13H16O5S |
| Molecular Weight | 284.3281 |
| SMILES | CS(O[C@@H]1C[C@H](C(OCC2=CC=CC=C2)=O)C1)(=O)=O |
| Synonyms | Benzyl 3-(mesyloxy)cyclobutanecarboxylate,
929913-27-9,
SCHEMBL3722755,
SCHEMBL16028693,
YFXWCFIJYNAMMJ-TXEJJXNPSA-N,
YFXWCFIJYNAMMJ-UHFFFAOYSA-N,
ZINC306898837,
benzyl 3-((methylsulfonyl)oxy)cyclobutanecarboxylate,
cis-3-methanesulfonyloxycyclobutane Carboxylic Benzyl Ester,
benzyl rac-(1s,3s)-3-(methanesulfonyloxy)cyclobutane-1-carboxylate, cis,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 284.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 284.326g/mol |
| Monoisotopic Mass | 284.072g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 78A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number