Cyclohexa-2,5-diene-1,4-dione;bis(2,2,2-trifluoroacetic acid)
Basic information
- CAS
830319-98-7- Standard SMILES
O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C1C=CC(=O)C=C1- InChIKey
ALTOLQIVCAHQHT-UHFFFAOYSA-N- Molecular formula
- C10H6F6O6
- Average molar mass
- 336.14 g/mol
- Monoisotopic mass
- 336.00685688
Names & identifiers
- Preferred name
- Cyclohexa-2,5-diene-1,4-dione;bis(2,2,2-trifluoroacetic acid)
- IUPAC
- cyclohexa-2,5-diene-1,4-dione;bis(2,2,2-trifluoroacetic acid)
Names & synonyms
830319-98-7DTXSID60836009Trifluoroacetic acid--cyclohexa-2,5-diene-1,4-dione (2/1)
Database identifiers
- CAS
830319-98-7- PubChem CID
- 71416633
- DTXSID
DTXSID60836009
Properties
Computed structural properties
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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