1,11-Dimethyl-1,2,3,4-tetrahydrochrysene
Basic information
- CAS
52171-94-5- Standard SMILES
Cc1cc2c(c3ccc4ccccc4c13)CCCC2C- InChIKey
HJQPFVFZAZFPRE-UHFFFAOYSA-N- Molecular formula
- C20H20
- Average molar mass
- 260.4 g/mol
- Monoisotopic mass
- 260.15650064
Names & identifiers
- Preferred name
- 1,11-Dimethyl-1,2,3,4-tetrahydrochrysene
- IUPAC
- 1,11-dimethyl-1,2,3,4-tetrahydrochrysene
- English name
- 1,11-Dimethyl-1,2,3,4-tetrahydrochrysene
- Molecular formula
- C20H20
- Molecular weight
- 260.37
Names & synonyms
1,11-Dimethyl-1,2,3,4-tetrahydrochrysene52171-94-57DA2UZ6ON6UNII-7DA2UZ6ON6CHRYSENE, 1,11-DIMETHYL-1,2,3,4-TETRAHYDRO-DTXSID409665301,2,3,4-TETRAHYDRO-1,11-DIMETHYLCHRYSENERefChem:71181DTXCID901394164DB-300824Q27268107Chrysene, 1,2,3,4-tetrahydro-1,11-dimethyl-
Database identifiers
- CAS
52171-94-5- PubChem CID
- 40266
- DTXSID
DTXSID40966530- UNII
- 7DA2UZ6ON6
- Nikkaji
- J92.340K
Properties
Computed structural properties
- XLogP
- 6.5
- 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
- 338.63 °C · 338.63°C (rough estimate)
- Density
- 1.023 · 1.0230 (estimate)
- refractive index
- 1.729 · 1.7290 (estimate)
- FDA UNII
- 7 DA2UZ6ON6 · 7DA2UZ6ON6
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Related reactions
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Compound notes
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