| CAS Number | 1955530-40-1 |
| Catalog Number | AG01C5O6 |
| Chemical Name | 3-(piperidin-4-yl)prop-2-ynoic acid hydrochloride |
| IUPAC Name | 3-piperidin-4-ylprop-2-ynoic acid;hydrochloride |
| InChI | InChI=1S/C8H11NO2.ClH/c10-8(11)2-1-7-3-5-9-6-4-7;/h7,9H,3-6H2,(H,10,11);1H |
| InChI Key | HWQGEOVUNHTPSS-UHFFFAOYSA-N |
| MDL Number | MFCD29991443 |
| Molecular Formula | C8H12ClNO2 |
| Molecular Weight | 189.6394 |
| SMILES | Cl.N1CCC(CC1)C#CC(=O)O |
| Synonyms | 3-(piperidin-4-yl)prop-2-ynoic acid hydrochloride,
1955530-40-1,
AKOS033919750,
Z2465619986,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.639g/mol |
| Monoisotopic Mass | 189.056g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number