Basic information
- CAS
78859-23-1- Standard SMILES
c1ccc2c(c1)cc1ccc3c4c(cc5ccc2c1c53)C1OC1CC4- InChIKey
ZORSMYAEOMOFPZ-UHFFFAOYSA-N- Molecular formula
- C24H16O
- Average molar mass
- 320.4 g/mol
- Monoisotopic mass
- 320.12011513
Names & identifiers
- Preferred name
- 1,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyrene
- IUPAC
- 6-oxaheptacyclo[11.10.2.02,8.05,7.010,24.014,19.021,25]pentacosa-1(24),2(8),9,11,13(25),14,16,18,20,22-decaene
Names & synonyms
78859-23-11,2-Epoxy-1,2,3,4-tetrahydrodibenzo(a,h)pyreneDIBENZO(b,def)CHRYSENE, 1,2-EPOXY-1,2,3,4-TETRAHYDRO-DTXSID8010000871a,2,3,13b-Tetrahydrodibenzo[1,12:3,4]tetrapheno[8,9-b]oxirene
Database identifiers
- CAS
78859-23-1- PubChem CID
- 54292
- DTXSID
DTXSID801000087- Nikkaji
- J72.792J
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…