| CAS Number | 863763-93-3 |
| Catalog Number | AG019OKV |
| Chemical Name | 2-(1,3-Thiazol-4-ylmethoxy)benzoic acid |
| IUPAC Name | 2-(1,3-thiazol-4-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C11H9NO3S/c13-11(14)9-3-1-2-4-10(9)15-5-8-6-16-7-12-8/h1-4,6-7H,5H2,(H,13,14) |
| InChI Key | MYZZEPDHQMACJH-UHFFFAOYSA-N |
| MDL Number | MFCD07339279 |
| Molecular Formula | C11H9NO3S |
| Molecular Weight | 235.2591 |
| SMILES | OC(C1=C(OCC2N=CSC=2)C=CC=C1)=O |
| Synonyms | 2-(1,3-thiazol-4-ylmethoxy)benzoic Acid,
863763-93-3,
AC1OFJS5,
AC1Q72KL,
CTK7I9058,
ZINC4218229,
AKOS000118352,
MCULE-6747174087,
NE41347,
2-[(1,3-thiazol-4-yl)methoxy]benzoic acid,
EN300-14328,
Z99600012,
CID7130681,
|
| Complexity | 249 |
| 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 | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number