| CAS Number | 1824533-02-9 |
| Catalog Number | AG01BBQZ |
| Chemical Name | 2-(2-oxo-1,3-oxazolidin-5-yl)acetonitrile |
| IUPAC Name | 2-(2-oxo-1,3-oxazolidin-5-yl)acetonitrile |
| InChI | InChI=1S/C5H6N2O2/c6-2-1-4-3-7-5(8)9-4/h4H,1,3H2,(H,7,8) |
| InChI Key | KDGMWQJAZLQEAC-UHFFFAOYSA-N |
| MDL Number | MFCD24496636 |
| Molecular Formula | C5H6N2O2 |
| Molecular Weight | 126.1133 |
| SMILES | O=C1OC(CC#N)CN1 |
| Synonyms | 2-(2-oxo-1,3-oxazolidin-5-yl)acetonitrile,
1824533-02-9,
SCHEMBL3949978,
KDGMWQJAZLQEAC-UHFFFAOYSA-N,
5-cyanomethyl-1,3-oxazolidine-2-one,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 126.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 126.115g/mol |
| Monoisotopic Mass | 126.043g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 62.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
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Certificate of Analysis
Lot Number