Basic information
- CAS
52171-92-3- Standard SMILES
Cc1cccc2c1cc(C)c1c3ccccc3ccc21- InChIKey
HCLIIKXGJGYUBQ-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Names & identifiers
- Preferred name
- Chrysene, 1,11-dimethyl-
- IUPAC
- 1,11-dimethylchrysene
- English name
- 1,11-Dimethylchrysene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
1,11-Dimethylchrysene5,7-DimethylchryseneCHRYSENE, 1,11-DIMETHYL-52171-92-3DTXSID30200192RefChem:334119DTXCID30122683Dimethylchrysene, 1,11-DB9GY4YM65DB-300825
Database identifiers
- CAS
52171-92-3- PubChem CID
- 40264
- DTXSID
DTXSID30200192- UNII
- DB9GY4YM65
- Nikkaji
- J69.531I
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
- 196.4 °C · 196.4°C (estimate)
- Boiling point
- 479.58 °C · 479.58°C (rough estimate)
- Density
- 1.084 · 1.0840 (estimate)
- refractive index
- 1.748 · 1.7480 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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