Basic information
- CAS
82911-12-4- Standard SMILES
O[C@@H]1C=C2c3ccccc3-c3cccc(c32)[C@H]1O- InChIKey
WZPSABMMMAFNIT-GDBMZVCRSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- trans-2,3-Dihydroxy-2,3-dihydrofluoranthene
- IUPAC
- (2R,3R)-2,3-dihydrofluoranthene-2,3-diol
- English name
- Fluoranthene trans-2,3-dihydrodiol
- Molecular formula
- C16H12O2
- Molecular weight
- 236.27
Names & synonyms
trans-2,3-Dihydroxy-2,3-dihydrofluoranthene82911-12-4BRN 4466383CCRIS 2178Fluoranthene trans-2,3-dihydrodioltrans-Fluoranthene-2,3-dihydrodioltrans-2,3-Dihydrodihydroxyfluoranthenetrans-2,3-Dihydrofluoranthene-2,3-diol(2R,3R)-2,3-dihydrofluoranthene-2,3-diol2,3-FLUORANTHENEDIOL, 2,3-DIHYDRO-, trans-DTXSID1010029992,3-dihydrofluoranthene-2,3-diol
Show more names
2,3-Fluoranthenediol, 2,3-dihydro-, (2R,3R)-rel-
Database identifiers
- CAS
82911-12-4- PubChem CID
- 54934
- DTXSID
DTXSID101002999- Nikkaji
- J527.848A
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 375
Physicochemical properties
- Melting point
- 167 · 167-168 °C (decomp)
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- pka
- 12.96 · 12.96±0.40(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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