Basic information
- CAS
52520-39-5- Standard SMILES
O=C1OC2C(O1)C1(c3ccccc3)OC2(c2ccccc2)c2ccccc21- InChIKey
BFKQJUMZSIYBEW-UHFFFAOYSA-N- Molecular formula
- C23H16O4
- Average molar mass
- 356.4 g/mol
- Monoisotopic mass
- 356.10485899
Names & identifiers
- Preferred name
- 4,9-Diphenyl-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho[2,3-d][1,3]dioxol-2-one
- IUPAC
- 1,8-diphenyl-10,12,14-trioxatetracyclo[6.5.1.02,7.09,13]tetradeca-2,4,6-trien-11-one
Names & synonyms
52520-39-5NSC 600854,9-diphenyl-3a,4,9,9a-tetrahydro-4,9-epoxynaphtho[2,3-d][1,3]dioxol-2-oneNSC60085DTXSID70289284NSC-600854,9-Diphenyl-3a,4,9,9a-tetrahydro-2H-4,9-epoxynaphtho[2,3-d][1,3]dioxol-2-one
Database identifiers
- CAS
52520-39-5- PubChem CID
- 246709
- DTXSID
DTXSID70289284
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 557
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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