| CAS Number | 39512-75-9 |
| Catalog Number | AG01BB3J(AGN-PC-02DAS7) |
| Chemical Name | 1,2,4-Oxadiazole-3-carbonitrile |
| IUPAC Name | 1,2,4-oxadiazole-3-carbonitrile |
| InChI | InChI=1S/C3HN3O/c4-1-3-5-2-7-6-3/h2H |
| InChI Key | SMAXOZPUQHHUCJ-UHFFFAOYSA-N |
| MDL Number | MFCD26938432 |
| Molecular Formula | C3HN3O |
| Molecular Weight | 95.0595 |
| SMILES | N#CC1=NOC=N1 |
| Synonyms | 1,2,4-oxadiazole-3-carbonitrile,
39512-75-9,
STL301949,
ZINC83267222,
AKOS022133543,
MCULE-5470927627,
Z2070647189,
|
| Complexity | 104 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 95.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 95.061g/mol |
| Monoisotopic Mass | 95.012g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 62.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number