| CAS Number | 1554112-75-2 |
| Catalog Number | AG01BE6P |
| Chemical Name | 4-tert-butyl-1,3-oxazole-2-carbaldehyde |
| IUPAC Name | 4-tert-butyl-1,3-oxazole-2-carbaldehyde |
| InChI | InChI=1S/C8H11NO2/c1-8(2,3)6-5-11-7(4-10)9-6/h4-5H,1-3H3 |
| InChI Key | FTTBGIMRQZUHII-UHFFFAOYSA-N |
| MDL Number | MFCD26743208 |
| Molecular Formula | C8H11NO2 |
| Molecular Weight | 153.1784 |
| SMILES | CC(C1N=C(C=O)OC=1)(C)C |
| Synonyms | ZINC108277645,
4-tert-Butyl-1,3-oxazole-2-carbaldehyde,
1554112-75-2,
|
| 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 | 1.8 |
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