Basic information
- CAS
111238-16-5- Standard SMILES
Oc1ccc2c(ccc3c4c5c(cccc5cc32)CC4)c1- InChIKey
OCCQBUNXEISPDA-UHFFFAOYSA-N- Molecular formula
- C20H14O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.10446507
Names & identifiers
- Preferred name
- Benz(j)aceanthrylen-9-ol, 1,2-dihydro-
- IUPAC
- 1,2-dihydrobenzo[j]aceanthrylen-9-ol
Names & synonyms
Benz(j)aceanthrylen-9-ol, 1,2-dihydro-111238-16-5DTXSID901495581,2-dihydrocyclopenta[ij]tetraphen-9-ol
Database identifiers
- CAS
111238-16-5- PubChem CID
- 183229
- DTXSID
DTXSID90149558
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…