| CAS Number | 218784-65-7 |
| Catalog Number | AG01AIKM(AGN-PC-0WCO34) |
| Chemical Name | 2-(3-Methylisoxazol-5-yl)ethanol |
| IUPAC Name | 2-(3-methyl-1,2-oxazol-5-yl)ethanol |
| InChI | InChI=1S/C6H9NO2/c1-5-4-6(2-3-8)9-7-5/h4,8H,2-3H2,1H3 |
| InChI Key | CSLLGOLBQFQBMJ-UHFFFAOYSA-N |
| MDL Number | MFCD21091978 |
| Molecular Formula | C6H9NO2 |
| Molecular Weight | 127.1412 |
| SMILES | CC1=NOC(=C1)CCO |
| Synonyms | 2-(3-methylisoxazol-5-yl)ethanol,
218784-65-7,
SCHEMBL4694487,
ZINC61957977,
AKOS013499568,
MCULE-8059577373,
2-(3-methyl-1,2-oxazol-5-yl)ethanol,
2-(3-methyl-1,2-oxazol-5-yl)ethan-1-ol,
L-4139,
F2147-0913,
|
| Complexity | 87.1 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number