| CAS Number | 1015533-53-5 |
| Catalog Number | AG008TUE |
| Chemical Name | Sodium 2-(2-(4-ethylphenyl)thiazol-4-yl)acetate |
| IUPAC Name | sodium;2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate |
| InChI | InChI=1S/C13H13NO2S.Na/c1-2-9-3-5-10(6-4-9)13-14-11(8-17-13)7-12(15)16;/h3-6,8H,2,7H2,1H3,(H,15,16);/q;+1/p-1 |
| InChI Key | PWZAWWRYSYPFCI-UHFFFAOYSA-M |
| MDL Number | MFCD06673127 |
| Molecular Formula | C13H12NNaO2S |
| Molecular Weight | 269.2947 |
| SMILES | O=C([O-])CC1=CSC(C2=CC=C(CC)C=C2)=N1.[Na+] |
| Synonyms | sodium [2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate,
1015533-53-5,
sodium 2-[2-(4-ethylphenyl)-1,3-thiazol-4-yl]acetate,
Sodium 2-(2-(4-ethylphenyl)thiazol-4-yl)acetate,
AC1Q1VPS,
CTK6D1487,
AKOS027427049,
MCULE-8862535087,
NE13417,
EN300-12714,
J-524253,
Z89264801,
|
| Complexity | 270 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.294g/mol |
| Monoisotopic Mass | 269.049g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 81.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number