| CAS Number | 944998-14-5 |
| Catalog Number | AG00IIAT(AGN-PC-0WOKV4) |
| Chemical Name | 3-(2-Fluoropyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(2-fluoropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8FNO2/c9-8-6(2-1-5-10-8)3-4-7(11)12/h1-2,5H,3-4H2,(H,11,12) |
| InChI Key | ZQWARVWZIAFKCE-UHFFFAOYSA-N |
| MDL Number | MFCD18803197 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | OC(CCC1=C(F)N=CC=C1)=O |
| Synonyms | 3-(2-Fluoropyridin-3-yl)propanoic acid,
944998-14-5,
3-Pyridinepropanoic acid, 2-fluoro-,
ZINC97756673,
|
| 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 | 1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number