| CAS Number | 260555-29-1 |
| Catalog Number | AG00J2WA(AGN-PC-0WB660) |
| Chemical Name | 5-methyl-4-isoxazolecarbonitrile |
| IUPAC Name | 5-methyl-1,2-oxazole-4-carbonitrile |
| InChI | InChI=1S/C5H4N2O/c1-4-5(2-6)3-7-8-4/h3H,1H3 |
| InChI Key | RJPKYXYLTAIWCT-UHFFFAOYSA-N |
| MDL Number | MFCD22412351 |
| Molecular Formula | C5H4N2O |
| Molecular Weight | 108.0981 |
| SMILES | CC1=C(C=NO1)C#N |
| Synonyms | 5-Methylisoxazole-4-carbonitrile,
260555-29-1,
5-Methyl-4-isoxazolecarbonitrile,
ZX-CM010777,
MFCD22412351,
ZINC83267233,
AKOS022965570,
FCH1640267,
SY040667,
MFCD22412351 (95%),
|
| Complexity | 126 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 108.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 108.1g/mol |
| Monoisotopic Mass | 108.032g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number