| CAS Number | 858450-30-3 |
| Catalog Number | AG01B88A |
| Chemical Name | 1-acetylpyrrolidine-2-carbonitrile |
| IUPAC Name | 1-acetylpyrrolidine-2-carbonitrile |
| InChI | InChI=1S/C7H10N2O/c1-6(10)9-4-2-3-7(9)5-8/h7H,2-4H2,1H3 |
| InChI Key | ZHUTVLURGLOKMO-UHFFFAOYSA-N |
| MDL Number | MFCD19347090 |
| Molecular Formula | C7H10N2O |
| Molecular Weight | 138.1671 |
| SMILES | CC(N1C(C#N)CCC1)=O |
| Synonyms | 1-acetylpyrrolidine-2-carbonitrile,
858450-30-3,
acetylpyrrolidine2-carbonitrile,
SCHEMBL4465428,
AKOS013736706,
Z1227728672,
|
| 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 | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
Lot Number