1,1a-Dihydroxy-1-hydrofluoren-9-one
Basic information
- CAS
149231-15-2- Standard SMILES
O=C1c2ccccc2C2=CC=C[C@@H](O)[C@]12O- InChIKey
CZWUUOGKBHOBEC-YPMHNXCESA-N- Molecular formula
- C13H10O3
- Average molar mass
- 214.22 g/mol
- Monoisotopic mass
- 214.06299418
Overview
1-Hydro-1,1a-dihydroxy-9-fluorenone is a member of fluorenes.
Names & identifiers
- Preferred name
- 1,1a-Dihydroxy-1-hydrofluoren-9-one
- IUPAC
- (1R,9aS)-1,9a-dihydroxy-1H-fluoren-9-one
- English name
- 1,1a-dihydroxy-1-hydrofluoren-9-one
- Molecular formula
- C13H10O3
- Molecular weight
- 214.22
Names & synonyms
149231-15-21,1a-Dihydroxy-1-hydrofluoren-9-oneDi(OH)2-1H-fluoren-9-oneRefChem:9066011-Hydro-1,1a-dihydroxy-9-fluorenone9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, cis-(+)-(1R,9aS)-1,9a-dihydroxy-1H-fluoren-9-oneDi(OH)-2-1H-Fluoren-9-oneCHEBI:80405DTXSID909335951,9a-Dihydroxy-1,9a-dihydro-9H-fluoren-9-oneQ27149433
Show more names
9H-Fluoren-9-one, 1,9a-dihydro-1,9a-dihydroxy-, (1R,9aS)-rel-(+)-
(1R,9aS)-1,9a-Dihydroxy-1,9a-dihydro-9H-fluoren-9-one
Database identifiers
- CAS
149231-15-2- PubChem CID
- 164480
- DTXSID
DTXSID90933595- ChEBI
CHEBI:80405- Nikkaji
- J2.799.279J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 449.495 · 449.495±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.46 · 1.460±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.665 · 11.665±0.40(predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 1-Hydro-1,1a-dihydroxy-9-fluorenone is a member of fluorenes.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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