| CAS Number | 923817-60-1 |
| Catalog Number | AG019LGM |
| Chemical Name | 3-methoxy-4-[(1,3-thiazol-4-yl)methoxy]benzoic acid |
| IUPAC Name | 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid |
| InChI | InChI=1S/C12H11NO4S/c1-16-11-4-8(12(14)15)2-3-10(11)17-5-9-6-18-7-13-9/h2-4,6-7H,5H2,1H3,(H,14,15) |
| InChI Key | RWJJZLQLLHHPML-UHFFFAOYSA-N |
| MDL Number | MFCD08444978 |
| Molecular Formula | C12H11NO4S |
| Molecular Weight | 265.2850 |
| SMILES | COC1=C(OCC2N=CSC=2)C=CC(C(O)=O)=C1 |
| Synonyms | 3-methoxy-4-(1,3-thiazol-4-ylmethoxy)benzoic acid,
923817-60-1,
AC1Q478T,
CTK6J7678,
ZINC20253513,
AKOS006033038,
MCULE-9497722196,
NE33763,
EN300-31198,
3-methoxy-4-(thiazol-4-ylmethoxy)benzoic acid,
3-methoxy-4-[(1,3-thiazol-4-yl)methoxy]benzoic acid,
Z228588960,
|
| Complexity | 289 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 265.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 265.283g/mol |
| Monoisotopic Mass | 265.041g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number