2-(3-Fluoro-5-oxofuran-2-ylidene)acetic acid
Completing data — refresh the page later to see the latest
Basic information
- CAS
161985-56-4- Standard SMILES
O=C(O)C=C1OC(=O)C=C1F- InChIKey
FFFSTNSWQYFZRE-UHFFFAOYSA-N- Molecular formula
- C6H3FO4
- Average molar mass
- 158.08 g/mol
Names & identifiers
- Preferred name
- 2-(3-Fluoro-5-oxofuran-2-ylidene)acetic acid
- IUPAC
- 2-(3-fluoro-5-oxofuran-2-ylidene)acetic acid
- English name
- Acetic acid, (3-fluoro-5-oxo-2(5H)-furanylidene)- (9CI)
- Molecular formula
- C6H3FO4
- Molecular weight
- 158.08
Names & synonyms
Acetic acid, 2-(3-fluoro-5-oxo-2(5H)-furanylidene)-Acetic acid, (3-fluoro-5-oxo-2(5H)-furanylidene)- (9CI)
Database identifiers
- CAS
161985-56-4
Properties
Computed structural propertiesFilling in
- XLogP
- -0.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Boiling point
- 228.9 · 228.9±40.0 °C(Predicted)
- Density
- 1.59 · 1.59±0.1 g/cm3(Predicted)
- pka
- 2.28 · 2.28±0.41(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…