Basic information
- CAS
4171-11-3- Standard SMILES
O=C1NC(=O)C(c2ccccc2)(c2ccccc2)O1- InChIKey
XDOFCEHAMICSIZ-UHFFFAOYSA-N- Molecular formula
- C15H11NO3
- Average molar mass
- 253.25 g/mol
- Monoisotopic mass
- 253.07389321
Names & identifiers
- Preferred name
- 5,5-Diphenyl-2,4-oxazolidinedione
- IUPAC
- 5,5-diphenyl-1,3-oxazolidine-2,4-dione
- English name
- 5,5-Diphenyloxazolidine-2,4-dione
- Molecular formula
- C15H11NO3
- Molecular weight
- 253.25
Names & synonyms
2,4-Oxazolidinedione, 5,5-diphenyl-4171-11-3DTXSID901945085,5-Diphenyl-2,4-oxazolidinedioneRefChem:1072149DTXCID60116999Epidon5,5-diphenyloxazolidine-2,4-dionePelidol5,5-diphenyl-1,3-oxazolidine-2,4-dione5,5-Diphenyl-1-oxazolidin-2,4-dioneBRN 0229978
Show more names
SCHEMBL112634554-27-00-03423 (Beilstein Handbook Reference)
Database identifiers
- CAS
4171-11-3- PubChem CID
- 77833
- DTXSID
DTXSID90194508- Nikkaji
- J54.253I
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Melting point
- 135 · 135-136 °C
- Boiling point
- 396.45 °C · 396.45°C (rough estimate)
- Density
- 1.1934 · 1.1934 (rough estimate)
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- 5.02 · 5.02±0.70(Predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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