| CAS Number | 1521395-16-3 |
| Catalog Number | AG01DVIZ |
| Chemical Name | 3-tert-butyl-1,2-oxazole-4-carbaldehyde |
| IUPAC Name | 3-tert-butyl-1,2-oxazole-4-carbaldehyde |
| InChI | InChI=1S/C8H11NO2/c1-8(2,3)7-6(4-10)5-11-9-7/h4-5H,1-3H3 |
| InChI Key | DJCNXECVBKLOQM-UHFFFAOYSA-N |
| MDL Number | MFCD31666705 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CC(C1C(C=O)=CON=1)(C)C |
| Synonyms | AKOS023201596,
3-tert-butyl-1,2-oxazole-4-carbaldehyde,
1521395-16-3,
|
| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 153.181g/mol |
| Monoisotopic Mass | 153.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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