1-(6-Acetylpyren-1-yl)ethanone
Basic information
- CAS
86471-04-7- Standard SMILES
CC(=O)c1ccc2ccc3c(C(C)=O)ccc4ccc1c2c43- InChIKey
QQXIABZKWQEJGE-UHFFFAOYSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- 1-(6-Acetylpyren-1-yl)ethanone
- IUPAC
- 1-(6-acetylpyren-1-yl)ethanone
Names & synonyms
1-(6-acetylpyren-1-yl)ethanone1,1'-pyrene-1,6-diyldiethanone86471-04-7DTXSID80235575RefChem:225855DTXCID101580661,6-Diacetylpyrene1,1'-(Pyrene-1,6-diyl)di(ethan-1-one)
Database identifiers
- CAS
86471-04-7- PubChem CID
- 186347
- DTXSID
DTXSID80235575- Nikkaji
- J1.023.135C
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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