| CAS Number | 147046-37-5 |
| Catalog Number | AG019LIW(AGN-PC-033RPE) |
| Chemical Name | 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C12H11NO3S/c1-2-16-9-5-3-8(4-6-9)11-13-10(7-17-11)12(14)15/h3-7H,2H2,1H3,(H,14,15) |
| InChI Key | ZHHYXMCSEALDNM-UHFFFAOYSA-N |
| MDL Number | MFCD07375282 |
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.2856 |
| SMILES | CCOC1=CC=C(C2SC=C(C(O)=O)N=2)C=C1 |
| Synonyms | 2-(4-ethoxyphenyl)-1,3-thiazole-4-carboxylic acid,
147046-37-5,
AC1Q36C5,
ZINC11993230,
AKOS009171179,
AB41587,
MCULE-2526261839,
NE34151,
EN300-31394,
Z361993940,
|
| Complexity | 267 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 249.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.284g/mol |
| Monoisotopic Mass | 249.046g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number