| CAS Number | 1251105-55-1 |
| Catalog Number | AG01BBEO |
| Chemical Name | 4-methyl-2-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid |
| InChI | InChI=1S/C9H11NO3S/c1-5-7(9(11)12)14-8(10-5)6-2-3-13-4-6/h6H,2-4H2,1H3,(H,11,12) |
| InChI Key | YCYAFPPJVNYIHM-UHFFFAOYSA-N |
| MDL Number | MFCD16707091 |
| Molecular Formula | C9H11NO3S |
| Molecular Weight | 213.2535 |
| SMILES | CC1=C(C(O)=O)SC(C2COCC2)=N1 |
| Synonyms | 4-methyl-2-(oxolan-3-yl)-1,3-thiazole-5-carboxylic acid,
1251105-55-1,
SCHEMBL18114129,
AKOS011596961,
Z2167281359,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.251g/mol |
| Monoisotopic Mass | 213.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
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Certificate of Analysis
Lot Number