| CAS Number | 1248694-60-1 |
| Catalog Number | AG01BU3B |
| Chemical Name | 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid |
| IUPAC Name | 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid |
| InChI | InChI=1S/C10H13NO3S/c12-9(13)5-8-6-15-10(11-8)7-1-3-14-4-2-7/h6-7H,1-5H2,(H,12,13) |
| InChI Key | XXNRLAZXXFGQAO-UHFFFAOYSA-N |
| MDL Number | MFCD16745970 |
| Molecular Formula | C10H13NO3S |
| Molecular Weight | 227.2801 |
| SMILES | OC(CC1N=C(C2CCOCC2)SC=1)=O |
| Synonyms | 2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]acetic acid,
1248694-60-1,
AKOS011673617,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.278g/mol |
| Monoisotopic Mass | 227.062g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number