| CAS Number | 22977-35-1 |
| Catalog Number | AG01A11K(AGN-PC-0WOACL) |
| Chemical Name | 1-Acetylpiperidine-3-carbonitrile |
| IUPAC Name | 1-acetylpiperidine-3-carbonitrile |
| InChI | InChI=1S/C8H12N2O/c1-7(11)10-4-2-3-8(5-9)6-10/h8H,2-4,6H2,1H3 |
| InChI Key | MPXRPMCOUTYVJD-UHFFFAOYSA-N |
| MDL Number | MFCD19347129 |
| Molecular Formula | C8H12N2O |
| Molecular Weight | 152.1937 |
| SMILES | CC(N1CC(C#N)CCC1)=O |
| Synonyms | 1-acetylpiperidine-3-carbonitrile,
22977-35-1,
SCHEMBL18478125,
AKOS013767044,
MCULE-7639748830,
NE23697,
|
| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 152.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 152.197g/mol |
| Monoisotopic Mass | 152.095g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
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Certificate of Analysis
Lot Number