Basic information
- CAS
20627-31-0- Standard SMILES
Cc1cccc2c(C)c3c(ccc4ccccc43)cc12- InChIKey
FBIFSZUQMIZITB-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- Benz(a)anthracene, 8,12-dimethyl-
- IUPAC
- 8,12-dimethylbenzo[a]anthracene
- English name
- 8,12-Dimethylbenz[a]anthracene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
Benz(a)anthracene, 8,12-dimethyl-20627-31-08,12-Dimethylbenz(a)anthracene8,12-Dimethylbenz[a]anthracene5,9-Dimethyl-1,2-benzanthraceneBenz[a]anthracene, 8,12-dimethyl-BRN 19593528,12-dimethyltetrapheneYNY664FRX2SCHEMBL20788832DTXSID60174655FBIFSZUQMIZITB-UHFFFAOYSA-N
Database identifiers
- CAS
20627-31-0- PubChem CID
- 88620
- DTXSID
DTXSID60174655- UNII
- YNY664FRX2
- Nikkaji
- J54.853G
Properties
Computed structural properties
- XLogP
- 6.7
- 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
- 135 °C · 135°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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