Basic information
- CAS
62533-91-9- Standard SMILES
c1cc2c3c(c1)C1OC1c1c-3c(cc3ccccc13)C1OC21- InChIKey
FJERPRKPFSZDKG-UHFFFAOYSA-N- Molecular formula
- C20H12O2
- Average molar mass
- 284.3 g/mol
- Monoisotopic mass
- 284.08372962
Names & identifiers
- Preferred name
- 1a,5,6,11c-Tetrahydro-5,6-epoxybenzo[10,11]chryseno[5,6-b]oxirene
- IUPAC
- 3,15-dioxaheptacyclo[11.7.2.02,4.05,22.06,11.014,16.017,21]docosa-1(20),5(22),6,8,10,12,17(21),18-octaene
Names & synonyms
62533-91-91a,5,6,11c-tetrahydro-5,6-epoxybenzo[10,11]chryseno[5,6-b]oxireneDTXSID30978127Benzo(1,2)pyreno(4,5-b:9,10-b')bisoxirene, 4c,5a,8b,9a-tetrahydro-
Database identifiers
- CAS
62533-91-9- PubChem CID
- 186754
- DTXSID
DTXSID30978127
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 25.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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