Basic information
- CAS
16877-22-8- Standard SMILES
O=C1OCN1c1ccccc1- InChIKey
GWZJVXFKDKOJPE-UHFFFAOYSA-N- Molecular formula
- C8H7NO2
- Average molar mass
- 149.15 g/mol
- Monoisotopic mass
- 149.04767847
Overview
structure
Names & identifiers
- Preferred name
- 2-Oxo-3-phenyl-1,3-oxazetidine
- IUPAC
- 3-phenyl-1,3-oxazetidin-2-one
- English name
- 3-Phenyl-1,3-oxazetidin-2-one
- Molecular formula
- C8H7NO2
- Molecular weight
- 149.15
Names & synonyms
2-Oxo-3-phenyl-1,3-oxazetidine16877-22-81,3-Oxazetidin-2-one, 3-phenyl-RefChem:889163-Phenyl-1,3-oxazetidin-2-oneSCHEMBL3362762DTXSID60937545GWZJVXFKDKOJPE-UHFFFAOYSA-N3-Phenyl-1,3-oxazetidin-2-one #
Database identifiers
- CAS
16877-22-8- PubChem CID
- 85620
- DTXSID
DTXSID60937545- Nikkaji
- J99.972E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 127 °C · 127 °C
- Boiling point
- 207.8 · 207.8±23.0 °C(Predicted)
- Density
- 1.311 · 1.311±0.06 g/cm3(Predicted)
- pka
- -0.25 · -0.25±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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