| CAS Number | 35166-36-0 |
| Catalog Number | AG00CM45(AGN-PC-0N8OUS) |
| Chemical Name | 3-Methoxy-5-isoxazolemethanol |
| IUPAC Name | (3-methoxy-1,2-oxazol-5-yl)methanol |
| InChI | InChI=1S/C5H7NO3/c1-8-5-2-4(3-7)9-6-5/h2,7H,3H2,1H3 |
| InChI Key | DIIVXOUBNHJXED-UHFFFAOYSA-N |
| MDL Number | MFCD25962612 |
| Molecular Formula | C5H7NO3 |
| Molecular Weight | 129.1140 |
| SMILES | COc1cc(on1)CO |
| Synonyms | 35166-36-0,
(3-methoxyisoxazol-5-yl)methanol,
3-methoxy-5-hydroxymethylisoxazole,
(3-methoxy-1,2-oxazol-5-yl)methanol,
SCHEMBL3154694,
3-methoxy-isoxazol-5-yl-methanol,
DIIVXOUBNHJXED-UHFFFAOYSA-N,
5-hydroxymethyl-3-methoxy-isoxazole,
(3-Methoxy-isoxazol-5-yl)-methanol,
MFCD25962612,
ZINC39167994,
AKOS027252854,
FT-0740206,
3-methoxy-5-Isoxazolemethanol,
CID10678258,
|
| Complexity | 88.3 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.115g/mol |
| Monoisotopic Mass | 129.043g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number