Basic information
- CAS
54889-82-6- Standard SMILES
CCCc1cccc2cc3c(ccc4ccccc43)cc12- InChIKey
MUVMFAXETLUFCG-UHFFFAOYSA-N- Molecular formula
- C21H18
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.14085057
Names & identifiers
- Preferred name
- BENZ(a)ANTHRACENE, 8-PROPYL
- IUPAC
- 8-propylbenzo[a]anthracene
- English name
- 8-Propylbenz[a]anthracene
- Molecular formula
- C21H18
- Molecular weight
- 270.37
Names & synonyms
BENZ(a)ANTHRACENE, 8-PROPYL5-n-Propyl-1,2-benzanthracene54889-82-68-Propylbenz(a)anthracene8-Propylbenz[a]anthracene8-propyltetrapheneBRN 2525191Benz[a]anthracene, 8-propyl-8-n-Propyltetraphen8-Propylbenzo[a]anthracene #5-n-Propyl-1,2-benzanthracenDTXSID80203375
Show more names
MUVMFAXETLUFCG-UHFFFAOYSA-NDB-318466
Database identifiers
- CAS
54889-82-6- PubChem CID
- 41219
- DTXSID
DTXSID80203375- Nikkaji
- J73.192G
Properties
Computed structural properties
- XLogP
- 7
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Boiling point
- 480.48 °C · 480.48°C (rough estimate)
- Density
- 1.0691 · 1.0691 (estimate)
- refractive index
- 1.712 · 1.7120 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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