Basic information
- CAS
131049-47-3- Standard SMILES
Oc1ccc2c(c1)C1=C[C@H](O)[C@@H](O)c3cccc-2c31- InChIKey
PIYPRVLDLQHHKG-HOCLYGCPSA-N- Molecular formula
- C16H12O3
- Average molar mass
- 252.26 g/mol
- Monoisotopic mass
- 252.07864424
Names & identifiers
- Preferred name
- (2S,3S)-2,3-dihydrofluoranthene-2,3,9-triol
- IUPAC
- (2S,3S)-2,3-dihydrofluoranthene-2,3,9-triol
Names & synonyms
131049-47-32,3-dihydrofluoranthene-2,3,9-triol9-Hydroxy-fluoranthene trans-2,3-dihydrodiol(2S,3S)-2,3-dihydrofluoranthene-2,3,9-triolDTXSID90927055
Database identifiers
- CAS
131049-47-3- PubChem CID
- 148352
- DTXSID
DTXSID90927055
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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