Basic information
- CAS
3719-39-9- Standard SMILES
O[C@@H]1c2ccccc2-c2cc3ccc4ccccc4c3cc2[C@@H]1O- InChIKey
RDJMBJBJQWPDEA-YADHBBJMSA-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, 5,6-DIHYDRO-, (Z)-
- IUPAC
- (5R,6S)-5,6-dihydronaphtho[1,2-b]phenanthrene-5,6-diol
Names & synonyms
cis-Benz(a)anthracene-5,6-dihydrodiol3719-39-9DIBENZ(a,h)ANTHRACENE-5,6-DIOL, 5,6-DIHYDRO-, (Z)-DBA-5,6-cis-dihydrodiolDibenz(a,h)anthracene-5,6-cis-dihydrodiolcis-5,6-Dihydro-5,6-dihydroxydibenz(a,h)anthraceneDTXSID00190672(5R,6S)-5,6-Dihydrobenzo[k]tetraphene-5,6-diol
Database identifiers
- CAS
3719-39-9- PubChem CID
- 19486
- DTXSID
DTXSID00190672- Nikkaji
- J575.462C
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
Loading…