| CAS Number | 1250754-10-9 |
| Catalog Number | AG01AD1P(AGN-PC-0WOA5R) |
| Chemical Name | 6,6-Dioxo-6lambda(6)-thiaspiro[2.5]octane-1-carboxylic acid |
| IUPAC Name | 6,6-dioxo-6λ6-thiaspiro[2.5]octane-2-carboxylic acid |
| InChI | InChI=1S/C8H12O4S/c9-7(10)6-5-8(6)1-3-13(11,12)4-2-8/h6H,1-5H2,(H,9,10) |
| InChI Key | LDKARROWWIBGLE-UHFFFAOYSA-N |
| MDL Number | MFCD16744626 |
| Molecular Formula | C8H12O4S |
| Molecular Weight | 204.2435 |
| SMILES | OC(C1C2(CCS(=O)(=O)CC2)C1)=O |
| Synonyms | 1250754-10-9,
6,6-dioxo-6lambda6-thiaspiro[2.5]octane-1-carboxylic acid,
6,6-Dioxo-6lambda(6)-thiaspiro[2.5]octane-1-carboxylic acid,
AKOS011676848,
KS-9878,
NE25423,
CS-0067452,
6,6-dioxo-6??-thiaspiro[2.5]octane-1-carboxylic acid,
6-Thiaspiro[2.5]octane-1-carboxylic acid 6,6-dioxide,
Z1768428787,
6,6-dioxo-6lambda-thiaspiro[2.5]octane-1-carboxylic acid,
6,6-Dioxo-6lambda*6*-thia-spiro[2.5]octane-1-carboxylic acid,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.24g/mol |
| Monoisotopic Mass | 204.046g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 79.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number