Basic information
- CAS
36717-59-6- Standard SMILES
CCC1OC(=O)CC1=O- InChIKey
DZMHRWJWFDJBHD-UHFFFAOYSA-N- Molecular formula
- C6H8O3
- Average molar mass
- 128.13 g/mol
- Monoisotopic mass
- 128.04734411
Names & identifiers
- Preferred name
- 5-Ethylfuran-2,4(3h,5h)-dione
- IUPAC
- 5-ethyloxolane-2,4-dione
Names & synonyms
5-ethyloxolane-2,4-dione5-ethylfuran-2,4(3h,5h)-dione36717-59-6NSC59327SCHEMBL5924334DTXSID80289134NSC-59327
Database identifiers
- CAS
36717-59-6- PubChem CID
- 246372
- DTXSID
DTXSID80289134
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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