3,4-Dihydro-1,11-dimethylchrysene
Basic information
- CAS
52171-93-4- Standard SMILES
CC1=CCCc2c1cc(C)c1c2ccc2ccccc21- InChIKey
PEWVKAUVYOKXKY-UHFFFAOYSA-N- Molecular formula
- C20H18
- Average molar mass
- 258.4 g/mol
- Monoisotopic mass
- 258.14085057
Names & identifiers
- Preferred name
- 3,4-Dihydro-1,11-dimethylchrysene
- IUPAC
- 1,11-dimethyl-3,4-dihydrochrysene
- English name
- 3,4-Dihydro-1,11-dimethylchrysene
- Molecular formula
- C20H18
- Molecular weight
- 258.36
Names & synonyms
3,4-Dihydro-1,11-dimethylchrysene52171-93-4CHRYSENE, 3,4-DIHYDRO-1,11-DIMETHYL-1,11-dimethyl-3,4-dihydrochryseneDTXSID90200193DB-304090
Database identifiers
- CAS
52171-93-4- PubChem CID
- 40265
- DTXSID
DTXSID90200193- Nikkaji
- J92.336B
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 393
Physicochemical properties
- Boiling point
- 336.61 °C · 336.61°C (rough estimate)
- Density
- 1.0524 · 1.0524 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
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Compound notes
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