Basic information
- CAS
568-81-0- Standard SMILES
Cc1cc2ccccc2c2c(C)c3ccccc3cc12- InChIKey
NHXNPBTUMFWNNT-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 6,12-Dimethylbenz[a]anthracene
- IUPAC
- 6,12-dimethylbenzo[a]anthracene
- English name
- 6,12-Dimethylbenz[a]anthracene
- Molecular weight
- 0
Names & synonyms
Benz(a)anthracene, 6,12-dimethyl-6,12-Dimethylbenz[a]anthracene6,12-Dimethylbenz(a)anthraceneBRN 1962611DTXSID402053553-05-00-02412 (Beilstein Handbook Reference)RefChem:305960DTXCID40127846NHXNPBTUMFWNNT-UHFFFAOYSA-N4,9-Dimethyl-1,2-benzanthracene568-81-06,12-dimethyltetraphene
Show more names
SCHEMBL20788806
Database identifiers
- CAS
568-81-0- PubChem CID
- 68434
- DTXSID
DTXSID40205355- Nikkaji
- J73.232J
Properties
Computed structural properties
- XLogP
- 5.8
- 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
- 75 °C · 75°C
- Boiling point
- 466.58 °C · 466.58°C (rough estimate)
- Density
- 1.084 · 1.0840 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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