| CAS Number | 107403-12-3 |
| Catalog Number | AG01DX81(AGN-PC-00MAXS) |
| Chemical Name | 5-tert-butyl-1,2-oxazol-3-ol |
| IUPAC Name | 5-tert-butyl-1,2-oxazol-3-one |
| InChI | InChI=1S/C7H11NO2/c1-7(2,3)5-4-6(9)8-10-5/h4H,1-3H3,(H,8,9) |
| InChI Key | NZLCEIYRRDWTEV-UHFFFAOYSA-N |
| MDL Number | MFCD25955187 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | C(C)(C)(C)C1=CC(NO1)=O |
| Synonyms | 3-hydroxy-5-tert-butylisoxazole,
107403-12-3,
5-tert-butyl-1,2-oxazol-3-one,
5-tert-Butylisoxazole-3-ol,
5-t-butyl-3-hydroxyisoxazole,
SCHEMBL179494,
5-t-butyl-3-hydroxyisooxazole,
5-t-butyl-3-hydroxyiso-oxazole,
NZLCEIYRRDWTEV-UHFFFAOYSA-N,
ZINC39616792,
AKOS032961558,
3(2H)-Isoxazolone, 5-(1,1-dimethylethyl)-,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number