Basic information
- CAS
3697-27-6- Standard SMILES
Cc1c(C)c2c3ccccc3ccc2c2ccccc12- InChIKey
SDOJHDGZFOGOFD-UHFFFAOYSA-N- Molecular formula
- C20H16
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.12520051
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5,6-Dimethylchrysene
- IUPAC
- 5,6-dimethylchrysene
- English name
- 5,6-dimethylchrysene
- Molecular formula
- C20H16
- Molecular weight
- 256.34
Names & synonyms
5,6-DIMETHYLCHRYSENE3697-27-6DTXSID50190465RefChem:101209DTXCID60112956Chrysene, 5,6-dimethyl-BRN 2266344SCHEMBL7612163CHEMBL1797290
Database identifiers
- CAS
3697-27-6- PubChem CID
- 19429
- DTXSID
DTXSID50190465- ChEMBL
CHEMBL1797290- Nikkaji
- J33.976H
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
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 129.3 °C · 129.3°C
- Boiling point
- 479.58 °C · 479.58°C (rough estimate)
- Density
- 1.084 · 1.0840 (estimate)
- refractive index
- 1.748 · 1.7480 (estimate)
- Water Solubility
- 25 ug/L · 25ug/L(27 ºC)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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