| CAS Number | 191676-58-1 |
| Catalog Number | AG01DZ7I(AGN-PC-00O1OB) |
| Chemical Name | (3-Tert-butyl-4,5-dihydro-1,2-oxazol-5-YL)methanol |
| IUPAC Name | (3-tert-butyl-4,5-dihydro-1,2-oxazol-5-yl)methanol |
| InChI | InChI=1S/C8H15NO2/c1-8(2,3)7-4-6(5-10)11-9-7/h6,10H,4-5H2,1-3H3 |
| InChI Key | QKZPPUZEXMEYMU-UHFFFAOYSA-N |
| MDL Number | MFCD19666705 |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.2102 |
| SMILES | CC(C1CC(CO)ON=1)(C)C |
| Synonyms | (3-TERT-BUTYL-4,5-DIHYDRO-1,2-OXAZOL-5-YL)METHANOL,
191676-58-1,
ACMC-20mbdk,
5-Isoxazolemethanol, 3-(1,1-dimethylethyl)-4,5-dihydro-, (5R)-,
SCHEMBL6897181,
108169-80-8,
AKOS013482585,
3-tert-Butyl-2-isoxazoline-5-methanol,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.213g/mol |
| Monoisotopic Mass | 157.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number