Basic information
- CAS
5431-94-7- Standard SMILES
CCOC(=O)C(C(=O)CCC(=O)OC)C(=O)OC- InChIKey
VZZXYNYDLCXUIM-UHFFFAOYSA-N- Molecular formula
- C11H16O7
- Average molar mass
- 260.24 g/mol
- Monoisotopic mass
- 260.08960285
Names & identifiers
- Preferred name
- 1-Ethyl 1,4-dimethyl 2-oxobutane-1,1,4-tricarboxylate
- IUPAC
- 1-O-ethyl 1-O,4-O-dimethyl 2-oxobutane-1,1,4-tricarboxylate
Names & synonyms
5431-94-71-ethyl 1,4-dimethyl 2-oxobutane-1,1,4-tricarboxylateNSC13666DTXSID10279669NSC 13666NSC-13666
Database identifiers
- CAS
5431-94-7- PubChem CID
- 224841
- DTXSID
DTXSID10279669
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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