Basic information
- CAS
18429-70-4- Standard SMILES
Cc1cccc2c1c(C)cc1cc3ccccc3cc12- InChIKey
XVSYIHPFNPQXRA-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- Benz(a)anthracene, 4,5-dimethyl-
- IUPAC
- 4,5-dimethylbenzo[a]anthracene
- English name
- 4,5-Dimethylbenz[a]anthracene
- Molecular formula
- C20H16
- Molecular weight
- 0
Names & synonyms
Benz(a)anthracene, 4,5-dimethyl-4,5-Dimethylbenz(a)anthracene18429-70-43,4'-Dimethyl-1,2-benzanthracene4,5-Dimethylbenz[a]anthraceneDTXSID50171552RefChem:321018DTXCID80940434,5-dimethylbenzo[a]anthracene4,5-dimethyltetraphene
Database identifiers
- CAS
18429-70-4- PubChem CID
- 29064
- DTXSID
DTXSID50171552- Nikkaji
- J35.532A
Properties
Computed structural properties
- XLogP
- 6.1
- 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
- 138.5 °C · 138.5°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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