Basic information
- CAS
105453-66-5- Standard SMILES
O[C@@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@H]1O- InChIKey
RDJMBJBJQWPDEA-FGZHOGPDSA-N- Molecular formula
- C22H16O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.11502975
Names & identifiers
- Preferred name
- Dibenz(a,h)anthracene-5,6-diol
- IUPAC
- (5R,6R)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol
Names & synonyms
trans-Dibenz(a,h)anthracene-5,6-dihydrodiolDibenz(a,h)anthracene-5,6-diol3719-40-2trans-5,6-Dihydro-5,6-dihydroxydibenz(a,h)anthracenetrans-5,6-Dihydrodibenz(a,h)anthracene-5,6-diolDTXSID20909546DIBENZ(a,h)ANTHRACENE-5,6-DIOL, 5,6-DIHYDRO-, (E)-
Database identifiers
- CAS
105453-66-5、3719-40-2- PubChem CID
- 19487
- DTXSID
DTXSID20909546- Nikkaji
- J581.200C
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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