| CAS Number | 1268091-73-1 |
| Catalog Number | AG01BBTZ |
| Chemical Name | 4-Methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid |
| IUPAC Name | 4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxylic acid |
| InChI | InChI=1S/C8H11NO3/c1-4(2)7-9-5(3)6(12-7)8(10)11/h4H,1-3H3,(H,10,11) |
| InChI Key | VTWAJTGRBAZVFC-UHFFFAOYSA-N |
| MDL Number | MFCD19347318 |
| Molecular Formula | C8H11NO3 |
| Molecular Weight | 169.1778 |
| SMILES | CC(C1OC(C(O)=O)=C(C)N=1)C |
| Synonyms | 4-methyl-2-(propan-2-yl)-1,3-oxazole-5-carboxylic acid,
1268091-73-1,
SCHEMBL19913372,
ZINC58518340,
AKOS014313226,
Z2510258172,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.18g/mol |
| Monoisotopic Mass | 169.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
Lot Number