Chrysene, 1,6-dimethyl-
Basic information
- CAS
117022-39-6- Standard SMILES
Cc1cc2c3cccc(C)c3ccc2c2ccccc12- InChIKey
AZEOIWPUGZKNOI-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- Chrysene, 1,6-dimethyl-
- IUPAC
- 1,6-dimethylchrysene
- English name
- 1,6-DiMethylchrysene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
1,6-dimethylchryseneChrysene, 1,6-dimethyl-117022-39-6DTXSID20151684DB-301156Reaxys ID: 26263294
Database identifiers
- CAS
117022-39-6- PubChem CID
- 190804
- DTXSID
DTXSID20151684
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
- Boiling point
- 462.3 · 462.3±15.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses1,6-Dimethylchrysene is a polycyclic aromatic hydrocarbon (PAH) with carcinogenic activity.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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