| CAS Number | 58765-87-0 |
| Catalog Number | AG019LL4 |
| Chemical Name | 2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C13H13NO3S/c1-3-17-10-6-4-9(5-7-10)12-14-8(2)11(18-12)13(15)16/h4-7H,3H2,1-2H3,(H,15,16) |
| InChI Key | GRPDYMCIQAAWNO-UHFFFAOYSA-N |
| MDL Number | MFCD06857932 |
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.3122 |
| SMILES | CCOC1=CC=C(C2SC(C(O)=O)=C(C)N=2)C=C1 |
| Synonyms | 2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic Acid,
58765-87-0,
AC1NLFG7,
AC1Q36C6,
CTK6G1840,
ZINC5592375,
AKOS002669853,
MCULE-6646231025,
NE13469,
EN300-31644,
Z227975620,
CID4980400,
|
| Complexity | 292 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.311g/mol |
| Monoisotopic Mass | 263.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number