Basic information
- CAS
63040-49-3- Standard SMILES
COc1c(OC)c2cc3c(ccc4ccccc43)cc2c2ccccc12- InChIKey
CTLSVZBGALBGBV-UHFFFAOYSA-N- Molecular formula
- C24H18O2
- Average molar mass
- 338.4 g/mol
- Monoisotopic mass
- 338.13067981
Names & identifiers
- Preferred name
- DIBENZ(a,h)ANTHRACENE, 5,6-DIMETHOXY-
- IUPAC
- 5,6-dimethoxynaphtho[1,2-b]phenanthrene
- English name
- 5,6-Dimethoxydibenz[a,h]anthracene
- Molecular formula
- C24H18O2
- Molecular weight
- 338.4
Names & synonyms
DIBENZ(a,h)ANTHRACENE, 5,6-DIMETHOXY-63040-49-35,6-Dimethoxydibenz(a,h)anthracene5,6-Dimethoxydibenz[a,h]anthracene3,4-Dimethoxy-dbaBRN 34276043,4-Dimethoxy-1,2:5,6-dibenzanthracene4-06-00-07046 (Beilstein Handbook Reference)5,6-dimethoxybenzo[k]tetrapheneDTXSID80212341DB-295871Dibenz[a,h]anthracene, 5,6-dimethoxy-
Database identifiers
- CAS
63040-49-3- PubChem CID
- 44347
- DTXSID
DTXSID80212341- Nikkaji
- J57.921A
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 491
Physicochemical properties
- Boiling point
- 434.54 °C · 434.54°C (rough estimate)
- Density
- 1.0914 · 1.0914 (rough estimate)
- refractive index
- 1.4891 · 1.4891 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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