| CAS Number | 81660-63-1 |
| Catalog Number | AG01AA7C(AGN-PC-0WO4GZ) |
| Chemical Name | 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid |
| IUPAC Name | 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid |
| InChI | InChI=1S/C9H15NO3S/c1-9(2,3)8(13)10-5-14-4-6(10)7(11)12/h6H,4-5H2,1-3H3,(H,11,12) |
| InChI Key | QBOICUCFKNPNND-UHFFFAOYSA-N |
| MDL Number | MFCD09933564 |
| Molecular Formula | C9H15NO3S |
| Molecular Weight | 217.2853 |
| SMILES | CC(C(N1C(C(O)=O)CSC1)=O)(C)C |
| Synonyms | 3-(2,2-dimethylpropanoyl)-1,3-thiazolidine-4-carboxylic acid,
81660-63-1,
AC1Q1LM2,
SCHEMBL11177614,
AKOS000174983,
AKOS026727543,
NE14634,
EN300-67303,
Z1259162153,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.283g/mol |
| Monoisotopic Mass | 217.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number