| CAS Number | 115311-25-6 |
| Catalog Number | AG00HCZ2(AGN-PC-00PZQI) |
| Chemical Name | 2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid |
| IUPAC Name | 2-(2-methylphenyl)-1,3-thiazole-4-carboxylic acid |
| InChI | InChI=1S/C11H9NO2S/c1-7-4-2-3-5-8(7)10-12-9(6-15-10)11(13)14/h2-6H,1H3,(H,13,14) |
| InChI Key | XXUMWTWIZGPWAY-UHFFFAOYSA-N |
| MDL Number | MFCD07376333 |
| Molecular Formula | C11H9NO2S |
| Molecular Weight | 219.2597 |
| SMILES | CC1=C(C2SC=C(C(O)=O)N=2)C=CC=C1 |
| Synonyms | 115311-25-6,
2-(2-methylphenyl)-1,3-thiazole-4-carboxylic acid,
2-(o-Tolyl)thiazole-4-carboxylic acid,
4-Thiazolecarboxylic acid, 2-(2-methylphenyl)-,
AC1Q2ENN,
SCHEMBL3536997,
XXUMWTWIZGPWAY-UHFFFAOYSA-N,
ZINC34613494,
2-o-tolyl-thiazole-4-carboxylic acid,
AKOS009311522,
MCULE-1569213071,
NE26827,
SC-30346,
FT-0715519,
EN300-66772,
2-(O-TOLYL)-THIAZOLE-4-CARBOXYLIC ACID,
Z1259162176,
2-(2-methylphenyl)-4-Thiazolecarboxylic acid,
|
| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.258g/mol |
| Monoisotopic Mass | 219.035g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number