| CAS Number | 933709-38-7 |
| Catalog Number | AG01A87S(AGN-PC-0WO848) |
| Chemical Name | 4-(4-Methyl-1,3-thiazol-2-yl)benzoic acid |
| IUPAC Name | 4-(4-methyl-1,3-thiazol-2-yl)benzoic acid |
| InChI | InChI=1S/C11H9NO2S/c1-7-6-15-10(12-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14) |
| InChI Key | AHVXODVMORVSSK-UHFFFAOYSA-N |
| MDL Number | MFCD11609891 |
| Molecular Formula | C11H9NO2S |
| Molecular Weight | 219.2597 |
| SMILES | CC1N=C(C2=CC=C(C(O)=O)C=C2)SC=1 |
| Synonyms | 4-(4-methyl-1,3-thiazol-2-yl)benzoic acid,
933709-38-7,
AC1Q2OLO,
SCHEMBL13680478,
CTK7I7854,
ZINC19779225,
AKOS010594967,
MCULE-5693400725,
NE44334,
EN300-60954,
Z992717056,
|
| Complexity | 239 |
| 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 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number