| CAS Number | 1706439-17-9 |
| Catalog Number | AG01DF3X(AGN-PC-0WCJWH) |
| Chemical Name | Ethyl 3-(cis-2-fluorocyclopropyl)-3-oxopropanoate |
| IUPAC Name | ethyl 3-[(1S,2S)-2-fluorocyclopropyl]-3-oxopropanoate |
| InChI | InChI=1S/C8H11FO3/c1-2-12-8(11)4-7(10)5-3-6(5)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1 |
| InChI Key | WKEXZXHWDVGSCK-RITPCOANSA-N |
| MDL Number | MFCD28100760 |
| Molecular Formula | C8H11FO3 |
| Molecular Weight | 174.1695 |
| SMILES | CCOC(=O)CC(=O)[C@@H]1C[C@@H]1F |
| Synonyms | 1706439-17-9,
cis-Ethyl -2-fluorocyclopropyl)-3-oxopropanoate,
ethyl cis-3-(-2-fluorocyclopropyl)-3-oxopropanoate,
AKOS027335090,
ZINC261361485,
AS-46635,
ethyl 3-((1S,2S)-2-fluorocyclopropyl)-3-oxopropanoate,
trans-Ethyl-2-fluorocyclopropyl)-3-oxopropanoate,
1706439-37-3,
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| Complexity | 203 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 174.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 174.171g/mol |
| Monoisotopic Mass | 174.069g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 43.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
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Certificate of Analysis
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