Basic information
- CAS
93673-38-2- Standard SMILES
O[C@H]1c2ccccc2-c2cc3cccc4c3c(c2[C@@H]1O)C=C4- InChIKey
IKNTVGMQHZAJFA-PMACEKPBSA-N- Molecular formula
- C20H14O2
- Average molar mass
- 286.3 g/mol
- Monoisotopic mass
- 286.09937969
Names & identifiers
- Preferred name
- Benz(j)aceanthrylene-11,12-diol, 11,12-dihydro-, trans-
- IUPAC
- (11S,12S)-11,12-dihydrobenzo[j]aceanthrylene-11,12-diol
Names & synonyms
93673-38-2Benz(j)aceanthrylene-11,12-diol, 11,12-dihydro-, trans-DTXSID00918232(11S,12S)-11,12-dihydrocyclopenta[ij]tetraphene-11,12-diol11,12-Dihydrocyclopenta[ij]tetraphene-11,12-diol
Database identifiers
- CAS
93673-38-2- PubChem CID
- 185286
- DTXSID
DTXSID00918232
Properties
Computed structural properties
- XLogP
- 3.4
- 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
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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