| CAS Number | 1256822-91-9 |
| Catalog Number | AG01B5KE |
| Chemical Name | 3-(2-chloropyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(2-chloropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8ClNO2/c9-8-6(2-1-5-10-8)3-4-7(11)12/h1-2,5H,3-4H2,(H,11,12) |
| InChI Key | FXKNTJOROSPHDO-UHFFFAOYSA-N |
| MDL Number | MFCD18255093 |
| Molecular Formula | C8H8ClNO2 |
| Molecular Weight | 185.6076 |
| SMILES | O=C(O)CCC1=CC=CN=C1Cl |
| Synonyms | 3-(2-chloropyridin-3-yl)propanoic acid,
1256822-91-9,
SCHEMBL2561240,
2-chloro-3-carboxyethylpyridine,
FXKNTJOROSPHDO-UHFFFAOYSA-N,
ZINC166027907,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.607g/mol |
| Monoisotopic Mass | 185.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number