| CAS Number | 119596-06-4 |
| Catalog Number | AG009QSF(AGN-PC-0PDIYM) |
| Chemical Name | (S)-1-(5-Methylisoxazol-3-yl)ethanol |
| IUPAC Name | (1S)-1-(5-methyl-1,2-oxazol-3-yl)ethanol |
| InChI | InChI=1S/C6H9NO2/c1-4-3-6(5(2)8)7-9-4/h3,5,8H,1-2H3/t5-/m0/s1 |
| InChI Key | BRPQABWKQYZYQC-YFKPBYRVSA-N |
| MDL Number | MFCD18818570 |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.1412 |
| SMILES | C[C@@H](C1=NOC(C)=C1)O |
| Synonyms | 119596-06-4,
(1S)-1-(5-methyl-1,2-oxazol-3-yl)ethan-1-ol,
ZINC39068260,
AKOS026741033,
3-Isoxazolemethanol, alpha,5-dimethyl-, (S)- (9CI),
(S)-1-(5-methylisoxazol-3-yl)ethanol,
|
| Complexity | 97.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.143g/mol |
| Monoisotopic Mass | 127.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number