4-Acetylphenanthrene
Basic information
- CAS
26698-33-9- Standard SMILES
CC(=O)c1cccc2ccc3ccccc3c12- InChIKey
NQUAUYFCIGKDFS-UHFFFAOYSA-N- Molecular formula
- C16H12O
- Average molar mass
- 220.26 g/mol
- Monoisotopic mass
- 220.088815
Names & identifiers
- Preferred name
- 4-Acetylphenanthrene
- IUPAC
- 1-phenanthren-4-ylethanone
- English name
- 4-Acetylphenanthrene
- Molecular formula
- C16H12O
- Molecular weight
- 220.27
Names & synonyms
4-Acetylphenanthrene26698-33-9DTXSID50346561RefChem:289657DTXCID80297633NQUAUYFCIGKDFS-UHFFFAOYSA-N1-phenanthren-4-ylethanone1-(phenanthren-4-yl)ethan-1-one1-(4-Phenanthryl)ethanone #SCHEMBL222816094-acetylphenantreneEthanone, 1-(4-phenanthrenyl)-
Database identifiers
- CAS
26698-33-9- PubChem CID
- 613234
- DTXSID
DTXSID50346561- Nikkaji
- J88.449I
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Melting point
- 89.8 · 89.8-90.3 °C
- Boiling point
- 405.9 · 405.9±14.0 °C(Predicted)
- Density
- 1.164 · 1.164±0.06 g/cm3(Predicted)
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Compound notes
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