Basic information
- CAS
353-12-8- Standard SMILES
O=C(O)CCOCCF- InChIKey
ANFKGTWWEJMCHJ-UHFFFAOYSA-N- Molecular formula
- C5H9FO3
- Average molar mass
- 136.12 g/mol
- Monoisotopic mass
- 136.05357231
Names & identifiers
- Preferred name
- Propionic acid, 3-(2'-fluoroethoxy)-
- IUPAC
- 3-(2-fluoroethoxy)propanoic acid
- English name
- 3-(2-Fluoroethoxy)propionic acid
- Molecular formula
- C5H9FO3
- Molecular weight
- 136.12
Names & synonyms
353-12-8Propionic acid, 3-(2'-fluoroethoxy)-BRN 17028403-(2'-Fluoroethoxy)propionic acidDTXSID001887963-03-00-00523 (Beilstein Handbook Reference)RefChem:375211DTXCID601112873-(2-fluoroethoxy)propanoic acidAKOS0063759263-(2-Fluoroethoxy)propionic acidPropanoic acid, 3-(2-fluoroethoxy)-
Database identifiers
- CAS
353-12-8- PubChem CID
- 67702
- DTXSID
DTXSID00188796- Nikkaji
- J35.369H
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 84.3
Physicochemical properties
- Boiling point
- 133 · 133-134 °C(Press: 12 Torr)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- pka
- 4.25 · 4.25±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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