| CAS Number | 98134-78-2 |
| Catalog Number | AG00J3EV(AGN-PC-05F056) |
| Chemical Name | 2-(5-oxopyrrolidin-2-yl)acetonitrile |
| IUPAC Name | 2-(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) |
| InChI Key | FECZAWYEEQYLTK-UHFFFAOYSA-N |
| MDL Number | MFCD09040736 |
| Molecular Formula | C6H8N2O |
| Molecular Weight | 124.1405 |
| SMILES | N1C(CCC1=O)CC#N |
| Synonyms | (5-oxopyrrolidin-2-yl)acetonitrile,
98134-78-2,
[5-Oxo-2-pyrrolidinyl]acetonitrile,
2-(5-oxopyrrolidin-2-yl)acetonitrile,
(5-Oxo-pyrrolidin-2-yl)-acetonitrile,
AC1Q6EJQ,
SCHEMBL9585424,
CTK5J0959,
DTXSID20503705,
2-Pyrrolidineacetonitrile, 5-oxo-,
MFCD09040736,
AKOS022633088,
(R)-2-(5-Oxopyrrolidin-2-yl)acetonitrile,
EN300-87205,
72479-06-2,
1428331-34-3,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number