| CAS Number | 33341-99-0 |
| Catalog Number | AG01B8VX(AGN-PC-001H5N) |
| Chemical Name | 3-Hydroxy-1-methylpiperidin-2-one |
| IUPAC Name | 3-hydroxy-1-methylpiperidin-2-one |
| InChI | InChI=1S/C6H11NO2/c1-7-4-2-3-5(8)6(7)9/h5,8H,2-4H2,1H3 |
| InChI Key | PESIJJGWDALPCW-UHFFFAOYSA-N |
| MDL Number | MFCD13178816 |
| Molecular Formula | C6H11NO2 |
| Molecular Weight | 129.1570 |
| SMILES | O=C1N(C)CCCC1O |
| Synonyms | 3-hydroxy-1-methylpiperidin-2-one,
33341-99-0,
3-hydroxy-1-methyl-2-piperidinone,
1-methyl-2-oxo-3-piperidinol,
SCHEMBL10598894,
PESIJJGWDALPCW-UHFFFAOYSA-N,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.159g/mol |
| Monoisotopic Mass | 129.079g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
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Certificate of Analysis
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