| CAS Number | 956437-13-1 |
| Catalog Number | AG019O07(AGN-PC-0WO7A4) |
| Chemical Name | Spiro[bicyclo[3.2.1]octane-8,2'-[1,3]dithiolane]-3-carboxylic acid |
| IUPAC Name | spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxylic acid |
| InChI | InChI=1S/C11H16O2S2/c12-10(13)7-5-8-1-2-9(6-7)11(8)14-3-4-15-11/h7-9H,1-6H2,(H,12,13) |
| InChI Key | ARWRLJKIYGMGBT-UHFFFAOYSA-N |
| MDL Number | MFCD08448147 |
| Molecular Formula | C11H16O2S2 |
| Molecular Weight | 244.3735 |
| SMILES | OC(C1CC2C3(SCCS3)C(CC2)C1)=O |
| Synonyms | spiro[bicyclo[3.2.1]octane-8,2'-[1,3]dithiolane]-3-carboxylic acid,
956437-13-1,
AC1NLPQF,
AC1Q74E2,
CTK7I7463,
HMS1767M12,
Spiro[1,3-dithiolane-2,8'-bicyclo[3.2.1]octane]-3'-carboxylic Acid,
AKOS000117193,
AKOS023867352,
EN300-12341,
SR-01000064898,
SR-01000064898-1,
F2124-0598,
CID4961851,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.367g/mol |
| Monoisotopic Mass | 244.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 87.9A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number