| CAS Number | 893640-97-6 |
| Catalog Number | AG019WFV(AGN-PC-0WOAT5) |
| Chemical Name | 2-(1,2-oxazol-4-yl)acetonitrile |
| IUPAC Name | 2-(1,2-oxazol-4-yl)acetonitrile |
| InChI | InChI=1S/C5H4N2O/c6-2-1-5-3-7-8-4-5/h3-4H,1H2 |
| InChI Key | ZMJZNHYSDJGFMG-UHFFFAOYSA-N |
| MDL Number | MFCD08701346 |
| Molecular Formula | C5H4N2O |
| Molecular Weight | 108.0981 |
| SMILES | N#CCC1=CON=C1 |
| Synonyms | 2-(1,2-oxazol-4-yl)acetonitrile,
893640-97-6,
Z1198107471,
AC1Q4S1V,
SCHEMBL3671670,
CTK7C9841,
ZINC26547910,
AKOS003673056,
MCULE-4683169358,
NE50867,
EN300-51820,
|
| Complexity | 115 |
| 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 | 1 |
| Topological Polar Surface Area | 49.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number