| CAS Number | 202817-06-9 |
| Catalog Number | AG00BUYK(AGN-PC-0NB4FB) |
| Chemical Name | (5-Tert-butyl-1,2-oxazol-3-yl)methanol |
| IUPAC Name | (5-tert-butyl-1,2-oxazol-3-yl)methanol |
| InChI | InChI=1S/C8H13NO2/c1-8(2,3)7-4-6(5-10)9-11-7/h4,10H,5H2,1-3H3 |
| InChI Key | ZEWDREDIDBZTAP-UHFFFAOYSA-N |
| MDL Number | MFCD17179007 |
| Molecular Formula | C8H13NO2 |
| Molecular Weight | 155.1943 |
| SMILES | CC(C1ON=C(CO)C=1)(C)C |
| Synonyms | 202817-06-9,
(5-(tert-Butyl)isoxazol-3-yl)methanol,
(5-tert-butyl-1,2-oxazol-3-yl)methanol,
5-tert-butyl-3-(hydroxymethyl)isoxazole,
SCHEMBL2733286,
ZEWDREDIDBZTAP-UHFFFAOYSA-N,
(5-t-butyl-isoxazol-3-yl)methanol,
ZINC45813961,
AKOS005351165,
NE25092,
AK442798,
3-Isoxazolemethanol,5-(1,1-dimethylethyl)-(9CI),
CID10820794,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 155.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 155.197g/mol |
| Monoisotopic Mass | 155.095g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number