Basic information
- CAS
56771-78-9- Standard SMILES
O=C(O)C(=O)C(Cl)C=C(Cl)C(=O)O- InChIKey
FZNLPNDNOQEIGH-UHFFFAOYSA-N- Molecular formula
- C6H4Cl2O5
- Average molar mass
- 227 g/mol
- Monoisotopic mass
- 225.9435786
Names & identifiers
- Preferred name
- 2,4-Dichloro-5-oxo-2-hexenedioic acid
- IUPAC
- 2,4-dichloro-5-oxohex-2-enedioic acid
- English name
- 2,4-Dichloro-5-oxo-2-hexenedioic acid
- Molecular formula
- C6H4Cl2O5
- Molecular weight
- 227
Names & synonyms
56771-78-92,4-Dichloro-5-oxohex-2-enedioic acidDTXSID608732972,4-Dichloro-5-oxo-2-hexenedioic acidDB-3023512-Hexenedioic acid, 2,4-dichloro-5-oxo-
Database identifiers
- CAS
56771-78-9- PubChem CID
- 533461
- DTXSID
DTXSID60873297
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 91.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Boiling point
- 416.9 · 416.9±45.0 °C(Predicted)
- Density
- 1.739 · 1.739±0.06 g/cm3(Predicted)
- pka
- 1.51 · 1.51±0.54(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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