2,2'-Methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)
Basic information
- CAS
91805-25-3- Standard SMILES
O=C1C=C(O)C(=O)C(CC2=C(O)C(=O)C=C(O)C2=O)=C1O- InChIKey
UFPXJGJTBDBIOM-UHFFFAOYSA-N- Molecular formula
- C13H8O8
- Average molar mass
- 292.2 g/mol
- Monoisotopic mass
- 292.02191721
Names & identifiers
- Preferred name
- 2,2'-Methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)
- IUPAC
- 3-[(2,5-dihydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)methyl]-2,5-dihydroxycyclohexa-2,5-diene-1,4-dione
Names & synonyms
91805-25-32,2'-methanediylbis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)NSC87859NCIOpen2_005284DTXSID40293217NSC-878592,2'-Methylenebis(3,6-dihydroxycyclohexa-2,5-diene-1,4-dione)
Database identifiers
- CAS
91805-25-3- PubChem CID
- 258648
- DTXSID
DTXSID40293217- Nikkaji
- J1.992.417C
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 667
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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