| CAS Number | 22620-28-6 |
| Catalog Number | AG01A4J8(AGN-PC-0WOCHH) |
| Chemical Name | 3-(5-Fluoropyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(5-fluoropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8FNO2/c9-7-3-6(4-10-5-7)1-2-8(11)12/h3-5H,1-2H2,(H,11,12) |
| InChI Key | SEZIDHKMGVYRTB-UHFFFAOYSA-N |
| MDL Number | MFCD20640708 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | OC(CCC1=CC(F)=CN=C1)=O |
| Synonyms | 3-(5-fluoropyridin-3-yl)propanoic acid,
22620-28-6,
3-Pyridinepropanoic acid, 5-fluoro-,
ZINC83822504,
AKOS014777720,
NE37676,
A1-08720,
|
| Complexity | 163 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.155g/mol |
| Monoisotopic Mass | 169.054g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number