| CAS Number | 1520648-96-7 |
| Catalog Number | AG01BVUD(AGN-PC-0WP0PW) |
| Chemical Name | 2-thiaspiro[3.3]heptane-6-carboxylic acid |
| IUPAC Name | 2-thiaspiro[3.3]heptane-6-carboxylic acid |
| InChI | InChI=1S/C7H10O2S/c8-6(9)5-1-7(2-5)3-10-4-7/h5H,1-4H2,(H,8,9) |
| InChI Key | GJOUBVCEOZPSNZ-UHFFFAOYSA-N |
| MDL Number | MFCD30002765 |
| Molecular Formula | C7H10O2S |
| Molecular Weight | 158.2181 |
| SMILES | OC(C1CC2(CSC2)C1)=O |
| Synonyms | 2-thiaspiro[3.3]heptane-6-carboxylic acid,
ZINC76593096,
AKOS023202139,
CS-0067455,
F2147-4118,
1520648-96-7,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.215g/mol |
| Monoisotopic Mass | 158.04g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number