| CAS Number | 944998-15-6 |
| Catalog Number | AG00IIAU(AGN-PC-0WG3UB) |
| Chemical Name | 3-(6-fluoropyridin-3-yl)propanoic acid |
| IUPAC Name | 3-(6-fluoropyridin-3-yl)propanoic acid |
| InChI | InChI=1S/C8H8FNO2/c9-7-3-1-6(5-10-7)2-4-8(11)12/h1,3,5H,2,4H2,(H,11,12) |
| InChI Key | YSRWQGSUXGWTHB-UHFFFAOYSA-N |
| MDL Number | MFCD18803196 |
| Molecular Formula | C8H8FNO2 |
| Molecular Weight | 169.1530 |
| SMILES | OC(=O)CCc1ccc(nc1)F |
| Synonyms | 3-(6-Fluoropyridin-3-yl)propanoic acid,
944998-15-6,
3-Pyridinepropanoic acid, 6-fluoro-,
MFCD18803196,
ZINC95836357,
AS-39743,
3-(6-fluoropyridin-3-yl)propanoic acid, 95% - 1G 1g,
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| 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 |
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Certificate of Analysis
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