| CAS Number | 1170288-04-6 |
| Catalog Number | AG019NFA |
| Chemical Name | 2-(3,4-Dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid hydrochloride |
| IUPAC Name | 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid;hydrochloride |
| InChI | InChI=1S/C13H13NO4S.ClH/c1-7-11(13(15)16)19-12(14-7)8-4-5-9(17-2)10(6-8)18-3;/h4-6H,1-3H3,(H,15,16);1H |
| InChI Key | IOGVLOURIDAQJD-UHFFFAOYSA-N |
| MDL Number | MFCD11505570 |
| Molecular Formula | C13H14ClNO4S |
| Molecular Weight | 315.7726 |
| SMILES | Cl.COC1=C(OC)C=C(C2SC(C(O)=O)=C(C)N=2)C=C1 |
| Synonyms | 2-(3,4-dimethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxylic acid hydrochloride,
1170288-04-6,
AC1Q3C09,
CTK6J7339,
NE15176,
EN300-40255,
|
| Complexity | 328 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.768g/mol |
| Monoisotopic Mass | 315.033g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number