| CAS Number | 1780429-54-0 |
| Catalog Number | AG00J2TA(AGN-PC-0WRAQT) |
| Chemical Name | 5-(Hydroxymethyl)-1-methyl-2-piperidinone |
| IUPAC Name | 5-(hydroxymethyl)-1-methylpiperidin-2-one |
| InChI | InChI=1S/C7H13NO2/c1-8-4-6(5-9)2-3-7(8)10/h6,9H,2-5H2,1H3 |
| InChI Key | RBAIZUMEBMLVSK-UHFFFAOYSA-N |
| MDL Number | MFCD09055286 |
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.1836 |
| SMILES | N1(C)CC(CO)CCC1=O |
| Synonyms | 1780429-54-0,
5-(Hydroxymethyl)-1-methyl-2-piperidinone,
5-(Hydroxymethyl)-1-methylpiperidin-2-one,
MFCD22396867,
AKOS024048732,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 143.095g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 143.186g/mol |
| Monoisotopic Mass | 143.095g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.6 |
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Certificate of Analysis
Lot Number