| CAS Number | 1516034-79-9 |
| Catalog Number | AG018JR0(AGN-PC-3H45BK) |
| Chemical Name | 2-Fluoro-2-(oxan-4-yl)acetic acid |
| IUPAC Name | 2-fluoro-2-(oxan-4-yl)acetic acid |
| InChI | InChI=1S/C7H11FO3/c8-6(7(9)10)5-1-3-11-4-2-5/h5-6H,1-4H2,(H,9,10) |
| InChI Key | GPSPMTRMJOYICS-UHFFFAOYSA-N |
| MDL Number | MFCD24089389 |
| Molecular Formula | C7H11FO3 |
| Molecular Weight | 162.1588 |
| SMILES | OC(C(C1CCOCC1)F)=O |
| Synonyms | 2-fluoro-2-(oxan-4-yl)acetic acid,
1516034-79-9,
AKOS019932353,
F2147-5798,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 162.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.16g/mol |
| Monoisotopic Mass | 162.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number