| CAS Number | 1782840-52-1 |
| Catalog Number | AG01AD2J |
| Chemical Name | 2-(1-Methyl-5-oxopyrrolidin-3-yl)acetonitrile |
| IUPAC Name | 2-(1-methyl-5-oxopyrrolidin-3-yl)acetonitrile |
| InChI | InChI=1S/C7H10N2O/c1-9-5-6(2-3-8)4-7(9)10/h6H,2,4-5H2,1H3 |
| InChI Key | KGLKAKINVYANGE-UHFFFAOYSA-N |
| MDL Number | MFCD28550092 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CN1C(=O)CC(CC#N)C1 |
| Synonyms | 1782840-52-1,
2-(1-methyl-5-oxopyrrolidin-3-yl)acetonitrile,
1-Methyl-5-oxopyrrolidine-3-acetonitrile,
SY157483,
MFCD28550092 (95%),
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 138.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 138.17g/mol |
| Monoisotopic Mass | 138.079g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number