4-Pyrenyloxirane
Basic information
- CAS
73529-24-5- Standard SMILES
c1cc2ccc3cccc4c(C5CO5)cc(c1)c2c34- InChIKey
ZPLRRRIERPCHAT-UHFFFAOYSA-N- Molecular formula
- C18H12O
- Average molar mass
- 244.3 g/mol
- Monoisotopic mass
- 244.088815
Names & identifiers
- Preferred name
- 4-Pyrenyloxirane
- IUPAC
- 2-pyren-4-yloxirane
- English name
- 4-Pyrenyloxirane
- Molecular formula
- C18H12O
- Molecular weight
- 244.29
Names & synonyms
73529-24-54-PyrenyloxiraneOxirane, 4-pyrenyl-Pyrene, 4-epoxyethyl-BRN 44496342-(PYREN-4-YL)OXIRANEDTXSID70994301Oxirane, 2-(4-pyrenyl)-
Database identifiers
- CAS
73529-24-5- PubChem CID
- 149502
- DTXSID
DTXSID70994301- Nikkaji
- J78.706J
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Melting point
- 88 · 88-89 °C (decomp)
- Boiling point
- 347.21 °C · 347.21°C (rough estimate)
- Density
- 1.0786 · 1.0786 (rough estimate)
- refractive index
- 1.47 · 1.4700 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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