| CAS Number | 1864063-48-8 |
| Catalog Number | AG01AUGF |
| Chemical Name | sodium 2-(4-phenyl-1,3-thiazol-2-yl)acetate |
| IUPAC Name | sodium;2-(4-phenyl-1,3-thiazol-2-yl)acetate |
| InChI | InChI=1S/C11H9NO2S.Na/c13-11(14)6-10-12-9(7-15-10)8-4-2-1-3-5-8;/h1-5,7H,6H2,(H,13,14);/q;+1/p-1 |
| InChI Key | YKMQJNVPNNTMGJ-UHFFFAOYSA-M |
| MDL Number | MFCD29034881 |
| Molecular Formula | C11H8NNaO2S |
| Molecular Weight | 241.2415 |
| SMILES | [Na+].[O-]C(CC1SC=C(C2=CC=CC=C2)N=1)=O |
| Synonyms | sodium 2-(4-phenyl-1,3-thiazol-2-yl)acetate,
1864063-48-8,
Z2235790780,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.24g/mol |
| Monoisotopic Mass | 241.017g/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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