| CAS Number | 880094-03-1 |
| Catalog Number | AG01BE9Q(AGN-PC-0712NR) |
| Chemical Name | 3-(Pyridin-2-yl)propanoic acid hydrochloride |
| IUPAC Name | 3-pyridin-2-ylpropanoic acid;hydrochloride |
| InChI | InChI=1S/C8H9NO2.ClH/c10-8(11)5-4-7-3-1-2-6-9-7;/h1-3,6H,4-5H2,(H,10,11);1H |
| InChI Key | VSFIZFLQQZTSRX-UHFFFAOYSA-N |
| MDL Number | MFCD11696415 |
| Molecular Formula | C8H10ClNO2 |
| Molecular Weight | 187.6235 |
| SMILES | Cl.OC(CCC1=NC=CC=C1)=O |
| Synonyms | 3-pyridin-2-ylpropanoic acid hydrochloride,
3-(pyridin-2-yl)propanoic acid hydrochloride,
880094-03-1,
SCHEMBL4174816,
CTK7J3090,
AKOS015849516,
NE15272,
SC-50767,
3-(2-Pyridyl)propanoic Acid Hydrochloride,
TR-057763,
3-Pyridin-2-yl-propionic acid hydrochloride,
ST24041663,
3-Pyridin-2-Yl-Propionic Acid,
3-(pyridin-2-yl)propanoic acid,
15197-75-8,
|
| Complexity | 136 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.623g/mol |
| Monoisotopic Mass | 187.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number