| CAS Number | 103245-31-4 |
| Catalog Number | AG01BUX9(AGN-PC-00MSES) |
| Chemical Name | (4-Methyl-1,2-oxazol-3-yl)methanol |
| IUPAC Name | (4-methyl-1,2-oxazol-3-yl)methanol |
| InChI | InChI=1S/C5H7NO2/c1-4-3-8-6-5(4)2-7/h3,7H,2H2,1H3 |
| InChI Key | WNGBGXLNOIQJGE-UHFFFAOYSA-N |
| MDL Number | MFCD22571686 |
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.1146 |
| SMILES | CC1C(CO)=NOC=1 |
| Synonyms | 103245-31-4,
(4-Methylisoxazol-3-yl)methanol,
(4-methyl-1,2-oxazol-3-yl)methanol,
3-Isoxazolemethanol, 4-methyl-,
SCHEMBL12492838,
MFCD22571686,
ZINC34070550,
AS-43872,
4-methyl-3-Isoxazolemethanol,
|
| Complexity | 76.8 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 113.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 113.116g/mol |
| Monoisotopic Mass | 113.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number