Basic information
- CAS
604-81-9- Standard SMILES
Cc1cccc2cc3c(ccc4ccccc43)c(C)c12- InChIKey
VKXBZRGZQZQJJW-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- 7,8-Dimethylbenz(a)anthracene
- IUPAC
- 7,8-dimethylbenzo[a]anthracene
- English name
- 7,8-Dimethylbenz[a]anthracene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
7,8-Dimethylbenz(a)anthracene604-81-97,8-Dimethylbenz[a]anthraceneBenz(a)anthracene, 7,8-dimethyl-5,10-Dimethyl-1,2-benzanthracene7,8-dimethyltetrapheneBRN 19594307,8-DimethyltetraphenDTXSID20975807VKXBZRGZQZQJJW-UHFFFAOYSA-NBenz[a]anthracene, 7,8-dimethyl-
Database identifiers
- CAS
604-81-9- PubChem CID
- 69055
- DTXSID
DTXSID20975807- Nikkaji
- J54.852I
Properties
Computed structural properties
- XLogP
- 6.4
- 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
- 147 °C · 147°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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