| CAS Number | 848316-22-3 |
| Catalog Number | AG019OIZ |
| Chemical Name | 2-[(2-Methyl-1,3-thiazol-4-yl)methoxy]benzoic acid |
| IUPAC Name | 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid |
| InChI | InChI=1S/C12H11NO3S/c1-8-13-9(7-17-8)6-16-11-5-3-2-4-10(11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15) |
| InChI Key | OLLYNXHSYOZLGB-UHFFFAOYSA-N |
| MDL Number | MFCD07330271 |
| Molecular Formula | C12H11NO3S |
| Molecular Weight | 249.2856 |
| SMILES | CC1SC=C(COC2=C(C(O)=O)C=CC=C2)N=1 |
| Synonyms | 2-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic Acid,
848316-22-3,
AC1NLR8D,
AC1Q2OY4,
CTK6C5909,
ZINC4207359,
AKOS009017416,
MCULE-6130134076,
EN300-14127,
Z96092425,
CID4962844,
|
| Complexity | 275 |
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number