| CAS Number | 209538-87-4 |
| Catalog Number | AG00BEAD |
| Chemical Name | Ethyl 2-(3-hydroxyphenyl)-4-methylthiazole-5-carboxylate |
| IUPAC Name | ethyl 2-(3-hydroxyphenyl)-4-methyl-1,3-thiazole-5-carboxylate |
| InChI | InChI=1S/C13H13NO3S/c1-3-17-13(16)11-8(2)14-12(18-11)9-5-4-6-10(15)7-9/h4-7,15H,3H2,1-2H3 |
| InChI Key | RBLKTMVSJHHLGF-UHFFFAOYSA-N |
| MDL Number | MFCD20265360 |
| Molecular Formula | C13H13NO3S |
| Molecular Weight | 263.3122 |
| SMILES | OC1=CC=CC(C2=NC(C)=C(C(OCC)=O)S2)=C1 |
| Synonyms | Ethyl 2-(3-hydroxyphenyl)-4-methylthiazole-5-carboxylate,
209538-87-4,
MFCD20265360,
2-(3-Hydroxyphenyl)-4-methylthiazole-5-carboxylic acid ethyl ester,
SCHEMBL299051,
ZINC68479904,
AKOS008177892,
DA-08319,
FT-0758311,
RBLKTMVSJHHLGF-UHFFFAOYSA-N,
|
| Complexity | 300 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.311g/mol |
| Monoisotopic Mass | 263.062g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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Certificate of Analysis
Lot Number