| CAS Number | 77790-73-9 |
| Catalog Number | AG00JC8V(AGN-PC-0NCGWA) |
| Chemical Name | (3-Methyl-4,5-dihydroisoxazol-5-yl)methanol |
| IUPAC Name | (3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol |
| InChI | InChI=1S/C5H9NO2/c1-4-2-5(3-7)8-6-4/h5,7H,2-3H2,1H3 |
| InChI Key | IULDMOIFJXPJQE-UHFFFAOYSA-N |
| MDL Number | MFCD01612656 |
| Molecular Formula | C5H9NO2 |
| Molecular Weight | 115.1305 |
| SMILES | CC1CC(CO)ON=1 |
| Synonyms | (3-methyl-4,5-dihydroisoxazol-5-yl)methanol,
77790-73-9,
(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methanol,
SCHEMBL6894909,
CTK6B3275,
3-Methyl-2-isoxazoline-5-methanol,
ALBB-009820,
MFCD01612656,
STK506086,
AKOS005172468,
TR-061428,
5-Isoxazolemethanol, 4,5-dihydro-3-methyl-,
R4742,
|
| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 115.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 115.132g/mol |
| Monoisotopic Mass | 115.063g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 41.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number