| CAS Number | 874623-35-5 |
| Catalog Number | AG019PFQ |
| Chemical Name | 3-[(1,3-thiazol-4-yl)methoxy]benzoic acid |
| IUPAC Name | 3-(1,3-thiazol-4-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C11H9NO3S/c13-11(14)8-2-1-3-10(4-8)15-5-9-6-16-7-12-9/h1-4,6-7H,5H2,(H,13,14) |
| InChI Key | IMILYUBILRHRBV-UHFFFAOYSA-N |
| MDL Number | MFCD07692304 |
| Molecular Formula | C11H9NO3S |
| Molecular Weight | 235.2591 |
| SMILES | OC(C1=CC(OCC2N=CSC=2)=CC=C1)=O |
| Synonyms | 3-(1,3-thiazol-4-ylmethoxy)benzoic Acid,
874623-35-5,
AC1OFMF0,
AC1Q733S,
CTK7I8741,
HMS1785L20,
ZINC4219148,
AKOS009075542,
MCULE-1032930539,
NE44095,
3-[(1,3-thiazol-4-yl)methoxy]benzoic acid,
EN300-23479,
Z149153140,
CID7131861,
|
| 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