3-Hydroxy-2-(9H-xanthen-9-YL)-3-cyclohexen-1-one
Basic information
- CAS
868256-70-6- Standard SMILES
O=C1CCC=C(O)C1C1c2ccccc2Oc2ccccc21- InChIKey
MZZAEHMCJZHPKY-UHFFFAOYSA-N- Molecular formula
- C19H16O3
- Average molar mass
- 292.3 g/mol
- Monoisotopic mass
- 292.10994437
Names & identifiers
- Preferred name
- 3-Hydroxy-2-(9H-xanthen-9-YL)-3-cyclohexen-1-one
- IUPAC
- 3-hydroxy-2-(9H-xanthen-9-yl)cyclohex-3-en-1-one
- English name
- 3-Hydroxy-2-(9H-xanthen-9-yl)-3-cyclohexen-1-one
- Molecular weight
- 292.33
Names & synonyms
AKOS0244128783-HYDROXY-2-(9H-XANTHEN-9-YL)-3-CYCLOHEXEN-1-ONE3-Cyclohexen-1-one, 3-hydroxy-2-(9H-xanthen-9-yl)-
Database identifiers
- CAS
868256-70-6- PubChem CID
- 3464655
- EC Number
- 134-030-1
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 447
Physicochemical properties
- Boiling point
- 448.062 · 448.062±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.317 · 1.317±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 9.763 · 9.763±0.40(predicted)
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Compound notes
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