| CAS Number | 1428331-34-3 |
| Catalog Number | AG009VLS(AGN-PC-0WB65L) |
| Chemical Name | (R)-2-(5-Oxopyrrolidin-2-yl)acetonitrile |
| IUPAC Name | 2-[(2R)-5-oxopyrrolidin-2-yl]acetonitrile |
| InChI | InChI=1S/C6H8N2O/c7-4-3-5-1-2-6(9)8-5/h5H,1-3H2,(H,8,9)/t5-/m1/s1 |
| InChI Key | FECZAWYEEQYLTK-RXMQYKEDSA-N |
| MDL Number | MFCD18432648 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | N1[C@H](CCC1=O)CC#N |
| Synonyms | (R)-(5-Oxo-pyrrolidin-2-yl)-acetonitrile,
1428331-34-3,
[(2R)-5-Oxo-2-pyrrolidinyl]acetonitrile,
ZX-CM010709,
MFCD18432648,
ZINC20285956,
AKOS027426438,
FCH3470315,
2-[(2R)-5-oxopyrrolidin-2-yl]acetonitrile,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 124.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 124.143g/mol |
| Monoisotopic Mass | 124.064g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number