| CAS Number | 165385-85-3 |
| Catalog Number | AG001W43(AGN-PC-0HUAR0) |
| Chemical Name | 3-ethylpiperidin-2-one |
| IUPAC Name | 3-ethylpiperidin-2-one |
| InChI | InChI=1S/C7H13NO/c1-2-6-4-3-5-8-7(6)9/h6H,2-5H2,1H3,(H,8,9) |
| InChI Key | OALIFKZSZCONPI-UHFFFAOYSA-N |
| MDL Number | MFCD13178750 |
| Molecular Formula | C7H13NO |
| Molecular Weight | 127.1842 |
| SMILES | CCC1C(=O)NCCC1 |
| Synonyms | 3-ethylpiperidin-2-one,
165385-85-3,
2-Piperidinone, 3-ethyl-,
CHEMBL356082,
SCHEMBL1967238,
(+/-)-3-ethyl-2-piperidone,
CTK0A9016,
DTXSID80447939,
AKOS006347263,
CID10909585,
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| Complexity | 112 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 127.1g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 127.187g/mol |
| Monoisotopic Mass | 127.1g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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