| CAS Number | 6007-84-7 |
| Catalog Number | AG01BJFZ(AGN-PC-0OD1J4) |
| Chemical Name | 3-oxa-8-thiabicyclo[3.2.1]octane-2,4-dione |
| IUPAC Name | 3-oxa-8-thiabicyclo[3.2.1]octane-2,4-dione |
| InChI | InChI=1S/C6H6O3S/c7-5-3-1-2-4(10-3)6(8)9-5/h3-4H,1-2H2 |
| InChI Key | QJWZYQDLGSFKPS-UHFFFAOYSA-N |
| MDL Number | MFCD29042229 |
| Molecular Formula | C6H6O3S |
| Molecular Weight | 158.1750 |
| SMILES | O=C(O1)C(S2)CCC2C1=O |
| Synonyms | 3-Oxa-8-thiabicyclo[3.2.1]octane-2,4-dione,
6007-84-7,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.171g/mol |
| Monoisotopic Mass | 158.004g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 68.7A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
Lot Number