| CAS Number | 60148-44-9 |
| Catalog Number | AG01BNDE(AGN-PC-0NIC7M) |
| Chemical Name | (5-Ethyl-3-methylisoxazol-4-yl)methanol |
| IUPAC Name | (5-ethyl-3-methyl-1,2-oxazol-4-yl)methanol |
| InChI | InChI=1S/C7H11NO2/c1-3-7-6(4-9)5(2)8-10-7/h9H,3-4H2,1-2H3 |
| InChI Key | LIHZPLQWZLXRAI-UHFFFAOYSA-N |
| MDL Number | MFCD25965208 |
| Molecular Formula | C7H11NO2 |
| Molecular Weight | 141.1677 |
| SMILES | CCC1=C(CO)C(C)=NO1 |
| Synonyms | (5-ethyl-3-methylisoxazol-4-yl)methanol,
60148-44-9,
4-Isoxazolemethanol, 5-ethyl-3-methyl-,
(5-ethyl-3-methyl-isoxazol-4-yl)-methanol,
CTK2F1313,
DTXSID60483830,
AKOS030549350,
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| Complexity | 108 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.17g/mol |
| Monoisotopic Mass | 141.079g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number