| CAS Number | 100367-49-5 |
| Catalog Number | AG0001QR(AGN-PC-0A3JV7) |
| Chemical Name | (5-Methylisoxazol-4-yl)methanol |
| IUPAC Name | (5-methyl-1,2-oxazol-4-yl)methanol |
| InChI | InChI=1S/C5H7NO2/c1-4-5(3-7)2-6-8-4/h2,7H,3H2,1H3 |
| InChI Key | NRKINZVWZUPBPP-UHFFFAOYSA-N |
| MDL Number | MFCD11865238 |
| Molecular Formula | C5H7NO2 |
| Molecular Weight | 113.1146 |
| SMILES | CC1=C(CO)C=NO1 |
| Synonyms | 100367-49-5,
(5-Methylisoxazol-4-yl)methanol,
(5-METHYL-ISOXAZOL-4-YL)METHANOL,
(5-methyl-1,2-oxazol-4-yl)methanol,
(5-Methyl-isoxazol-4-yl)-methanol,
SCHEMBL1208482,
4-Isoxazolemethanol, 5-methyl-,
KS-00001ASA,
8859AH,
MFCD11865238,
ZINC40435235,
AKOS024260979,
NE59728,
AM806531,
AJ-102235,
CS-0039137,
C5H7NO2,
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| 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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number