| CAS Number | 1104473-32-6 |
| Catalog Number | AG01AA7O(AGN-PC-0WO1YL) |
| Chemical Name | 3-Cyclobutanecarbonyl-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | 3-(cyclobutanecarbonyl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C9H13NO3S/c11-8(6-2-1-3-6)10-5-14-4-7(10)9(12)13/h6-7H,1-5H2,(H,12,13) |
| InChI Key | AQJBTFLUVKYQEE-UHFFFAOYSA-N |
| MDL Number | MFCD09929991 |
| Molecular Formula | C9H13NO3S |
| Molecular Weight | 215.2694 |
| SMILES | OC(C1N(C(C2CCC2)=O)CSC1)=O |
| Synonyms | 3-cyclobutanecarbonyl-1,3-thiazolidine-4-carboxylic acid,
1104473-32-6,
AC1Q74R2,
AKOS000170938,
AKOS026726720,
MCULE-8549346067,
NE44206,
EN300-67355,
Z1171978888,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 215.267g/mol |
| Monoisotopic Mass | 215.062g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number