| CAS Number | 1311318-26-9 |
| Catalog Number | AG01AILS(AGN-PC-0WOC4R) |
| Chemical Name | 6-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carbonitrile |
| IUPAC Name | 6-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carbonitrile |
| InChI | InChI=1S/C9H7N3O2/c10-5-7-1-2-8(11-6-7)12-3-4-14-9(12)13/h1-2,6H,3-4H2 |
| InChI Key | KHHJLHKXGDQCAP-UHFFFAOYSA-N |
| MDL Number | MFCD18917317 |
| Molecular Formula | C9H7N3O2 |
| Molecular Weight | 189.1708 |
| SMILES | O=C1N(C2=NC=C(C#N)C=C2)CCO1 |
| Synonyms | 6-(2-oxo-1,3-oxazolidin-3-yl)pyridine-3-carbonitrile,
1311318-26-9,
ZINC68592376,
AKOS026729978,
MCULE-2817921776,
NE41063,
EN300-78274,
F8881-4629,
Z1259155907,
|
| Complexity | 283 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.174g/mol |
| Monoisotopic Mass | 189.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 66.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number