3,3,4,5,6,6-Hexahydroxycyclohex-4-ene-1,2-dione
Basic information
- CAS
67548-74-7- Standard SMILES
O=C1C(=O)C(O)(O)C(O)=C(O)C1(O)O- InChIKey
FCBPXCKUDOIBHB-UHFFFAOYSA-N- Molecular formula
- C6H6O8
- Average molar mass
- 206.11 g/mol
- Monoisotopic mass
- 206.00626715
Names & identifiers
- Preferred name
- 3,3,4,5,6,6-Hexahydroxycyclohex-4-ene-1,2-dione
- IUPAC
- 3,3,4,5,6,6-hexahydroxycyclohex-4-ene-1,2-dione
Names & synonyms
67548-74-73,3,4,5,6,6-Hexahydroxycyclohex-4-ene-1,2-dioneDTXSID90791177
Database identifiers
- CAS
67548-74-7- PubChem CID
- 71368097
- DTXSID
DTXSID90791177
Properties
Computed structural properties
- XLogP
- -3.9
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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