| CAS Number | 36705-82-5 |
| Catalog Number | AG00CNBA(AGN-PC-0O9DFA) |
| Chemical Name | 2-(4-Hydroxyphenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C10H7NO3S/c12-7-3-1-6(2-4-7)9-11-8(5-15-9)10(13)14/h1-5,12H,(H,13,14) |
| InChI Key | YSKMZPAUCUGNFT-UHFFFAOYSA-N |
| MDL Number | MFCD11179450 |
| Molecular Formula | C10H7NO3S |
| Molecular Weight | 221.2325 |
| SMILES | OC1=CC=C(C=C1)C=1SC=C(N1)C(=O)O |
| Synonyms | 2-(4-hydroxyphenyl)-1,3-thiazole-4-carboxylic acid,
36705-82-5,
2-(4-Hydroxyphenyl)thiazole-4-carboxylic acid,
AC1Q742C,
SCHEMBL1785557,
YSKMZPAUCUGNFT-UHFFFAOYSA-N,
ZINC36893219,
AKOS009312059,
MCULE-7110155498,
NE52900,
FT-0712238,
EN300-64189,
4-Thiazolecarboxylic acid, 2-(4-hydroxyphenyl)-,
A1-10552,
2-(4-HydroxyphenyI)-1,3-thiazole-4-carboxylic acid,
Z1171979263,
2-(4-hydroxyphenyl)-4-Thiazolecarboxylic acid,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.23g/mol |
| Monoisotopic Mass | 221.015g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number