Basic information
- CAS
316-51-8- Standard SMILES
Cc1ccc2cc3c(ccc4cc(C)ccc43)cc2c1- InChIKey
DBPDWIZRMPUWRH-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 3,9-Dimethylbenz(a)anthracene
- IUPAC
- 3,9-dimethylbenzo[a]anthracene
- English name
- 3,9-Dimethylbenz[a]anthracene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
3,9-Dimethylbenz[a]anthraceneBENZ(a)ANTHRACENE, 3,9-DIMETHYL-3,9-Dimethylbenz(a)anthraceneBRN 2558523DTXSID401854864-05-00-02586 (Beilstein Handbook Reference)RefChem:272806DTXCID50107977DBPDWIZRMPUWRH-UHFFFAOYSA-N316-51-83,9-dimethylbenzo[a]anthracene3,9-dimethyltetraphene
Show more names
3,9-dimethyl-benz(a)anthracen3,9-Dimethylbenz[a]anthracene@50 μg/mL in Toluene
SCHEMBL598560
Database identifiers
- CAS
316-51-8- PubChem CID
- 9428
- DTXSID
DTXSID40185486- Nikkaji
- J149.220I
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 346
Physicochemical properties
- Melting point
- 93 · 93-93.5 °C
- Boiling point
- 462.3 · 462.3±15.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- Henry's Law Constant
- 1.9 · 1.9×100 mol/(m3Pa) at 25℃, Parnis et al. (2015)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers1 total
BOC Sciences+1-631-485-4226 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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