Basic information
- CAS
111238-18-7- Standard SMILES
O=C1C=Cc2c(ccc3c4c5c(cccc5cc23)CC4)C1=O- InChIKey
LJZREAZQAKNNDQ-UHFFFAOYSA-N- Molecular formula
- C20H12O2
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.08372962
Names & identifiers
- Preferred name
- Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-
- IUPAC
- 1,2-dihydrobenzo[j]aceanthrylene-9,10-dione
Names & synonyms
Benzo(j)aceanthrylene-9,10-dione, 1,2-dihydro-111238-18-71,2-Dihydrobenzo(j)aceanthrylene-9,10-dioneDTXSID501495591,2-Dihydrocyclopenta[ij]tetraphene-9,10-dione
Database identifiers
- CAS
111238-18-7- PubChem CID
- 183231
- DTXSID
DTXSID50149559
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 548
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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