Basic information
- CAS
85541-80-6- Standard SMILES
OC1c2cccc3cc4c(ccc5ccccc54)c(c23)C1O- InChIKey
FKKLORIUOJKOOS-UHFFFAOYSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- Benz(j)aceanthrylene-1,2-diol, 1,2-dihydro-
- IUPAC
- 1,2-dihydrobenzo[j]aceanthrylene-1,2-diol
Names & synonyms
85541-80-6Benz(j)aceanthrylene-1,2-diol, 1,2-dihydro-1,2-dihydrocyclopenta[ij]tetraphene-1,2-diolBenz[j]aceanthrylene-1,2-diol, 1,2-dihydro-DTXSID801263580
Database identifiers
- CAS
85541-80-6- PubChem CID
- 190065
- DTXSID
DTXSID801263580
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 435
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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