Basic information
- CAS
57613-20-4- Standard SMILES
CCC1(CC)C(=O)OC1=O- InChIKey
WYIKBJKJLYHXGE-UHFFFAOYSA-N- Molecular formula
- C7H10O3
- Average molar mass
- 142.15 g/mol
- Monoisotopic mass
- 142.06299418
Names & identifiers
- Preferred name
- 2,4-Oxetanedione, 3,3-diethyl-
- IUPAC
- 3,3-diethyloxetane-2,4-dione
Names & synonyms
2,4-Oxetanedione, 3,3-diethyl-57613-20-4DTXSID30481580RefChem:246861DTXCID304323903,3-diethyloxetane-2,4-dionediethylmalonic anhydrideSCHEMBL9721740
Database identifiers
- CAS
57613-20-4- PubChem CID
- 12232016
- DTXSID
DTXSID30481580
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 163
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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