| CAS Number | 1423025-18-6 |
| Catalog Number | AG01A1LD(AGN-PC-0WO2F3) |
| Chemical Name | sodium 2-[5-methyl-4-(propan-2-yl)-1,3-thiazol-2-yl]acetate |
| IUPAC Name | sodium;2-(5-methyl-4-propan-2-yl-1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C9H13NO2S.Na/c1-5(2)9-6(3)13-7(10-9)4-8(11)12;/h5H,4H2,1-3H3,(H,11,12);/q;+1/p-1 |
| InChI Key | VPOGMOMGXFJWGU-UHFFFAOYSA-M |
| MDL Number | MFCD22565874 |
| Molecular Formula | C9H12NNaO2S |
| Molecular Weight | 221.2518 |
| SMILES | [Na+].CC(C1=C(C)SC(CC([O-])=O)=N1)C |
| Synonyms | sodium 2-[5-methyl-4-(propan-2-yl)-1,3-thiazol-2-yl]acetate,
1423025-18-6,
AKOS026726870,
MCULE-9349418401,
NE21698,
Z1483956644,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.25g/mol |
| Monoisotopic Mass | 221.049g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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