Diethyl 4-oxohept-2-enedioate
Basic information
- CAS
59742-69-7- Standard SMILES
CCOC(=O)C=CC(=O)CCC(=O)OCC- InChIKey
YSXDKKYVUOEOGS-UHFFFAOYSA-N- Molecular formula
- C11H16O5
- Average molar mass
- 228.24 g/mol
- Monoisotopic mass
- 228.09977361
Names & identifiers
- Preferred name
- Diethyl 4-oxohept-2-enedioate
- IUPAC
- diethyl 4-oxohept-2-enedioate
Names & synonyms
Diethyl 4-oxohept-2-enedioate59742-69-7DTXSID20787048
Database identifiers
- CAS
59742-69-7- PubChem CID
- 71363531
- DTXSID
DTXSID20787048
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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