Basic information
- CAS
6266-47-3- Standard SMILES
O=c1ccc2c(=O)c3ccc(-c4ccc5c(O)c6ccc(O)c(O)c6c(O)c5c4)cc3c(=O)c=2c1=O- InChIKey
OJMMYRZCFZGFES-UHFFFAOYSA-N- Molecular formula
- C28H14O8
- Average molar mass
- 478.4 g/mol
- Monoisotopic mass
- 478.0688674
Names & identifiers
- Preferred name
- 7,7'-Bializarin
- IUPAC
- 7-(7,8,9,10-tetrahydroxyanthracen-2-yl)anthracene-1,2,9,10-tetrone
Names & synonyms
6266-47-37,7'-BializarinNSC37223SCHEMBL13064957DTXSID804202477,7',8,8'-Tetrahydroxy-[2,2'-bianthracene]-9,9',10,10'-tetraoneNSC-372237,7',8,8'-Tetrahydroxy[2,2'-bianthracene]-9,9',10,10'-tetrone
Database identifiers
- CAS
6266-47-3- PubChem CID
- 412076
- DTXSID
DTXSID80420247
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 149 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 1,070
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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