| CAS Number | 115299-10-0 |
| Catalog Number | AG009UU3(AGN-PC-00PZQE) |
| Chemical Name | 2-(2-Methoxyphenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H9NO3S/c1-15-9-5-3-2-4-7(9)10-12-8(6-16-10)11(13)14/h2-6H,1H3,(H,13,14) |
| InChI Key | CUVKRPUNVDDPKG-UHFFFAOYSA-N |
| MDL Number | MFCD07376334 |
| Molecular Formula | C11H9NO3S |
| Molecular Weight | 235.2591 |
| SMILES | COC1=C(C2SC=C(C(O)=O)N=2)C=CC=C1 |
| Synonyms | 2-(2-methoxyphenyl)-1,3-thiazole-4-carboxylic acid,
115299-10-0,
2-(2-Methoxyphenyl)thiazole-4-carboxylic acid,
AC1Q451V,
SCHEMBL5343313,
CUVKRPUNVDDPKG-UHFFFAOYSA-N,
STL302007,
ZINC34613480,
AKOS009311881,
MCULE-7750484626,
NE44419,
SC-30637,
EN300-59900,
2-(2-methoxyphenyl)-4-thiazolecarboxylic acid,
4-Thiazolecarboxylic acid, 2-(2-methoxyphenyl)-,
2-(2-METHOXY-PHENYL)-THIAZOLE-4-CARBOXYLIC ACID,
Z1259041070,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.257g/mol |
| Monoisotopic Mass | 235.03g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number