3,3',4,4',5,5'-Biphenylhexol
Basic information
- CAS
4371-21-5- Standard SMILES
Oc1cc(-c2cc(O)c(O)c(O)c2)cc(O)c1O- InChIKey
UWULOIFHRZGDFB-UHFFFAOYSA-N- Molecular formula
- C12H10O6
- Average molar mass
- 250.2 g/mol
- Monoisotopic mass
- 250.04773803
Names & identifiers
- Preferred name
- 3,3',4,4',5,5'-Biphenylhexol
- IUPAC
- 5-(3,4,5-trihydroxyphenyl)benzene-1,2,3-triol
- English name
- [1,1'-Biphenyl]-3,3',4,4',5,5'-hexol
- Molecular formula
- C12H10O6
- Molecular weight
- 250.2
Names & synonyms
4371-21-5[1,1'-Biphenyl]-3,3',4,4',5,5'-hexol3,3',4,4',5,5'-Biphenylhexol5-(3,4,5-trihydroxyphenyl)benzene-1,2,3-triol[1,1'-Biphenyl]-3,3',4,4',5,5'-hexaolNSC143541SCHEMBL251835263,4,4',5,5'-BiphenylhexolDTXSID30301451NSC-143541CS-0170588I84569
Show more names
Strontium Ranelate Impurity 133,3',4,4',5,5'-hexahydroxybiphenyl3,3',4,4',5,5'-hexahydroxybiphenyl
F691214
Database identifiers
- CAS
4371-21-5- PubChem CID
- 285891
- DTXSID
DTXSID30301451
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Boiling point
- 634.1 · 634.1±55.0 °C(Predicted)
- Density
- 1.721 · 1.721±0.06 g/cm3(Predicted)
- pka
- 8.58 · 8.58±0.15(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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