| CAS Number | 1094411-96-7 |
| Catalog Number | AG01A9MZ(AGN-PC-0WORH8) |
| Chemical Name | 2-(2-Tert-butyl-1,3-thiazol-4-yl)acetic acid |
| IUPAC Name | 2-(2-tert-butyl-1,3-thiazol-4-yl)acetic acid |
| InChI | InChI=1S/C9H13NO2S/c1-9(2,3)8-10-6(5-13-8)4-7(11)12/h5H,4H2,1-3H3,(H,11,12) |
| InChI Key | AOJJREQRLZDBAA-UHFFFAOYSA-N |
| MDL Number | MFCD11180931 |
| Molecular Formula | C9H13NO2S |
| Molecular Weight | 199.2700 |
| SMILES | CC(C1SC=C(CC(O)=O)N=1)(C)C |
| Synonyms | 2-(2-tert-butyl-1,3-thiazol-4-yl)acetic acid,
1094411-96-7,
MFCD11180931,
2-tert-Butyl-4-thiazoleacetic acid,
AC1Q1MCD,
SCHEMBL5524100,
ZINC36895565,
AKOS009310075,
MCULE-4192074621,
NE24912,
EN300-65567,
Z1259161970,
|
| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 199.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.268g/mol |
| Monoisotopic Mass | 199.067g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 78.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number