| CAS Number | 1156157-65-1 |
| Catalog Number | AG01EB9Q |
| Chemical Name | 1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one |
| IUPAC Name | 1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one |
| InChI | InChI=1S/C9H15NO2/c1-2-9(12)10-5-3-8(7-11)4-6-10/h2,8,11H,1,3-7H2 |
| InChI Key | ZKXRDDRYQFSFQZ-UHFFFAOYSA-N |
| MDL Number | MFCD12091257 |
| Molecular Formula | C9H15NO2 |
| Molecular Weight | 169.2209 |
| SMILES | OCC1CCN(C(C=C)=O)CC1 |
| Synonyms | 1-[4-(hydroxymethyl)piperidin-1-yl]prop-2-en-1-one,
1156157-65-1,
SCHEMBL4578429,
VS-0111,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.11g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.224g/mol |
| Monoisotopic Mass | 169.11g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 40.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number