trans-7,8-Dihydroxy-7,8-dihydrofluoranthene
Basic information
- CAS
105777-13-7- Standard SMILES
O[C@H]1C=CC2=C(c3cccc4cccc2c34)[C@@H]1O- InChIKey
CRERAKOPKUUDEY-XJKSGUPXSA-N- Molecular formula
- C16H12O2
- Average molar mass
- 236.26 g/mol
- Monoisotopic mass
- 236.08372962
Names & identifiers
- Preferred name
- trans-7,8-Dihydroxy-7,8-dihydrofluoranthene
- IUPAC
- (7S,8S)-7,8-dihydrofluoranthene-7,8-diol
Names & synonyms
trans-7,8-Dihydroxy-7,8-dihydrofluoranthene7,8-FLUORANTHENEDIOL, 7,8-DIHYDRO-, trans-105777-13-7CCRIS 2179(7S,8S)-7,8-dihydrofluoranthene-7,8-diolDTXSID70147335
Database identifiers
- CAS
105777-13-7- PubChem CID
- 60019
- DTXSID
DTXSID70147335
Properties
Computed structural properties
- XLogP
- 1.6
- 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
- 423
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Compound notes
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