Basic information
- CAS
36504-68-4- Standard SMILES
c1cc2ccc3cc4c(c5ccc(c1)c2c35)C1OC1CC4- InChIKey
DUHHIDHETBMUJJ-UHFFFAOYSA-N- Molecular formula
- C20H14O
- Average molar mass
- 270.3 g/mol
- Monoisotopic mass
- 270.10446507
Names & identifiers
- Preferred name
- (+-)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene
- IUPAC
- 4-oxahexacyclo[11.6.2.02,8.03,5.010,20.017,21]henicosa-1(20),2(8),9,11,13(21),14,16,18-octaene
Names & synonyms
(+-)-7,8,8a,9a-Tetrahydrobenzo(10,11)chryseno(3,4-b)oxirene64608-56-6SCHEMBL3348154DTXSID60957809Benzo(10,11)chryseno(3,4-b)oxirene, 7,8,8a,9a-tetrahydro-, (+-)-9,10-epoxy-7,8,9,10-tetrahydro-benzo[a]pyrene7,8,8a,9a-tetrahydrobenzo[1,12]tetrapheno[10,11-b]oxirene
Database identifiers
- CAS
36504-68-4、64608-56-6- PubChem CID
- 37458
- DTXSID
DTXSID60957809- Nikkaji
- J36.065A
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 445
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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