3-Ethyloxolane-2,4-dione
Basic information
- CAS
5436-14-6- Standard SMILES
CCC1C(=O)COC1=O- InChIKey
IEGPSTVVCRQXBD-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 3-Ethyloxolane-2,4-dione
- IUPAC
- 3-ethyloxolane-2,4-dione
- English name
- 3-ethyloxolane-2,4-dione
- Molecular formula
- C6H8O3
- Molecular weight
- 128.13
Names & synonyms
5436-14-63-ethyloxolane-2,4-dioneNSC213652,4(3H,5H)-Furandione, 3-ethyl-SCHEMBL17420512,5H)-Furandione, 3-ethyl-DTXSID10281348IEGPSTVVCRQXBD-UHFFFAOYSA-NNSC-213653-Ethyl-2,4(3H,5H)-furandione #3-Ethylfuran-2,4(3H,5H)-dione
Database identifiers
- CAS
5436-14-6- PubChem CID
- 228433
- DTXSID
DTXSID10281348- Nikkaji
- J100.365H
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 150
Physicochemical properties
- Melting point
- 127 · 127-128 °C
- Boiling point
- 292.6 · 292.6±33.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 12 · 12.00±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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