| CAS Number | 136204-50-7 |
| Catalog Number | AG01A30O(AGN-PC-02M9IX) |
| Chemical Name | 2-(Methoxymethyl)-4-methylthiazole-5-carboxylic acid |
| IUPAC Name | 2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C7H9NO3S/c1-4-6(7(9)10)12-5(8-4)3-11-2/h3H2,1-2H3,(H,9,10) |
| InChI Key | DSRGXKZFDRMHKN-UHFFFAOYSA-N |
| MDL Number | MFCD14529536 |
| Molecular Formula | C7H9NO3S |
| Molecular Weight | 187.2163 |
| SMILES | COCC1SC(C(O)=O)=C(C)N=1 |
| Synonyms | 136204-50-7,
2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxylic acid,
2-(Methoxymethyl)-4-methylthiazole-5-carboxylic acid,
SCHEMBL9120822,
KS-00003SFA,
DSRGXKZFDRMHKN-UHFFFAOYSA-N,
ZINC36155936,
AKOS010815739,
NE25507,
TS-00234,
2-methoxymethyl-4-methylthiazole-5-carboxylic acid,
5-Thiazolecarboxylic acid, 2-(methoxymethyl)-4-methyl-,
Z1768160698,
|
| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.213g/mol |
| Monoisotopic Mass | 187.03g/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