| CAS Number | 68776-59-0 |
| Catalog Number | AG00FFC5(AGN-PC-004TML) |
| Chemical Name | 5-cyanoisoxazole |
| IUPAC Name | 1,2-oxazole-5-carbonitrile |
| InChI | InChI=1S/C4H2N2O/c5-3-4-1-2-6-7-4/h1-2H |
| InChI Key | MCCCJBNRMFLROD-UHFFFAOYSA-N |
| MDL Number | MFCD18909311 |
| Molecular Formula | C4H2N2O |
| Molecular Weight | 94.0715 |
| SMILES | O1N=CC=C1C#N |
| Synonyms | Isoxazole-5-carbonitrile,
5-cyanoisoxazole,
68776-59-0,
DTXSID30459320,
MCCCJBNRMFLROD-UHFFFAOYSA-N,
MFCD18909311,
ZINC79064885,
CS-W000598,
FCH1011932,
QC-8445,
AJ-123085,
AX8259507,
DB-003530,
FT-0738246,
1,2-oxazole-5-carbonitrile,
CID11228764,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 94.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 94.073g/mol |
| Monoisotopic Mass | 94.017g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number