| CAS Number | 1249143-45-0 |
| Catalog Number | AG01AF3D(AGN-PC-0WOEBW) |
| Chemical Name | 6-thiaspiro[2.5]octane-1-carboxylic acid |
| IUPAC Name | 6-thiaspiro[2.5]octane-2-carboxylic acid |
| InChI | InChI=1S/C8H12O2S/c9-7(10)6-5-8(6)1-3-11-4-2-8/h6H,1-5H2,(H,9,10) |
| InChI Key | DVFDZHDIAOOYJD-UHFFFAOYSA-N |
| MDL Number | MFCD16744622 |
| Molecular Formula | C8H12O2S |
| Molecular Weight | 172.2447 |
| SMILES | OC(C1C2(CCSCC2)C1)=O |
| Synonyms | 6-thiaspiro[2.5]octane-1-carboxylic acid,
1249143-45-0,
AKOS011676651,
CS-0067454,
Z2235810243,
|
| Complexity | 185 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.242g/mol |
| Monoisotopic Mass | 172.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number