Dibenz(a,h)anthracene-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)-
Basic information
- CAS
79036-79-6- Standard SMILES
O[C@@H]1[C@H](O)[C@@H](O)c2ccc3cc4c(ccc5ccccc54)cc3c2[C@H]1O- InChIKey
WZASWRYOBUPNGZ-CBPXPLCBSA-N- Molecular formula
- C22H18O4
- Average molar mass
- 346.4 g/mol
- Monoisotopic mass
- 346.12050905
Names & identifiers
- Preferred name
- Dibenz(a,h)anthracene-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)-
- IUPAC
- (1R,2S,3R,4S)-1,2,3,4-tetrahydronaphtho[5,6-b]phenanthrene-1,2,3,4-tetrol
- English name
- 1,2,3,4-Tetrahydrodibenz(a,h)anthracene-1,2,3,4-tetrol (1alpha,2beta,3 beta,4alpha)-
- Molecular formula
- C22H18O4
- Molecular weight
- 346.38
Names & synonyms
79036-79-6Dibenz(a,h)anthracene-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1alpha,2beta,3beta,4alpha)-DTXSID201000215(1alpha,2beta,3beta,4alpha)-1,2,3,4-Tetrahydro-dibenz(a,h)anthracene-1,2,3,4-tetrol1,2,3,4-Tetrahydrodibenz(a,h)anthracene-1,2,3,4-tetrol (1alpha,2beta,3beta,4alpha)-1,2,3,4-Tetrahydrobenzo[k]tetraphene-1,2,3,4-tetrol(1R,2S,3R,4S)-1,2,3,4-tetrahydrobenzo[k]tetraphene-1,2,3,4-tetrolDibenz[a,h]anthracene-1,2,3,4-tetrol, 1,2,3,4-tetrahydro-, (1α,2β,3β,4α)- (9CI)1,2,3,4-Tetrahydrodibenz(a,h)anthracene-1,2,3,4-tetrol (1alpha,2beta,3 beta,4alpha)-
Database identifiers
- CAS
79036-79-6- PubChem CID
- 149759
- DTXSID
DTXSID201000215- Nikkaji
- J575.465H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 524
Physicochemical properties
- Boiling point
- 640.493 · 640.493±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.529 · 1.529±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 13.265 · 13.265±0.70(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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