| CAS Number | 2102412-13-3 |
| Catalog Number | AG00ILGA(AGN-PC-0WRAIL) |
| Chemical Name | 2-[1-(ethanesulfonyl)piperidin-4-ylidene]acetonitrile |
| IUPAC Name | 2-(1-ethylsulfonylpiperidin-4-ylidene)acetonitrile |
| InChI | InChI=1S/C9H14N2O2S/c1-2-14(12,13)11-7-4-9(3-6-10)5-8-11/h3H,2,4-5,7-8H2,1H3 |
| InChI Key | ZGXFKWBJRHIDHC-UHFFFAOYSA-N |
| MDL Number | MFCD30723487 |
| Molecular Formula | C9H14N2O2S |
| Molecular Weight | 214.2847 |
| SMILES | C(C)S(=O)(=O)N1CCC(CC1)=CC#N |
| Synonyms | 2-[1-(ethanesulfonyl)piperidin-4-ylidene]acetonitrile,
2102412-13-3,
ZINC602993683,
AS-54046,
AK00806789,
CS-0052094,
na,
|
| Complexity | 359 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.283g/mol |
| Monoisotopic Mass | 214.078g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 69.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
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Certificate of Analysis
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