1-(2-Methoxyphenyl)anthracene-9,10-dione
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Basic information
- CAS
20760-60-5- Standard SMILES
COc1ccccc1-c1cccc2c1C(=O)c1ccccc1C2=O- InChIKey
HLKNRNPTFCTXDQ-UHFFFAOYSA-N- Molecular formula
- C21H14O3
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.0942943
Names & identifiers
- Preferred name
- 1-(2-Methoxyphenyl)anthracene-9,10-dione
- IUPAC
- 1-(2-methoxyphenyl)anthracene-9,10-dione
- English name
- 1-(2-Methoxyphenyl)-9,10-anthracenedione
- Molecular formula
- C21H14O3
- Molecular weight
- 314.33
Names & synonyms
1-(2-methoxyphenyl)anthracene-9,10-dione20760-60-5DTXSID80347708RefChem:223662DTXCID202987801-(2-Methoxyphenyl)-9,10-anthracenedione9,10-Anthracenedione, 1-(2-methoxyphenyl)-HLKNRNPTFCTXDQ-UHFFFAOYSA-N1-(2-Methoxyphenyl)anthra-9,10-quinone #
Database identifiers
- CAS
20760-60-5- PubChem CID
- 624945
- DTXSID
DTXSID80347708- Nikkaji
- J127.342F
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 499
Physicochemical properties
- Melting point
- 160 °C · 160 °C
- Boiling point
- 509 · 509.0±39.0 °C(Predicted)
- Density
- 1.265 · 1.265±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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