Basic information
- CAS
5198-46-9- Standard SMILES
Cc1ccc(N2CCOC2=O)cc1- InChIKey
CGDOGUUOMDFHLT-UHFFFAOYSA-N- Molecular formula
- C10H11NO2
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.07897859
Names & identifiers
- Preferred name
- 2-Oxo-3-(p-tolyl)-1,3-oxazolidine
- IUPAC
- 3-(4-methylphenyl)-1,3-oxazolidin-2-one
- English name
- 3-(4-Methylphenyl)-1,3-oxazolidin-2-one
- Molecular formula
- C10H11NO2
- Molecular weight
- 177.2
Names & synonyms
2-Oxo-3-(p-tolyl)-1,3-oxazolidine5198-46-9DTXSID70285105RefChem:264892DTXCID50236256CGDOGUUOMDFHLT-UHFFFAOYSA-N3-(4-Methylphenyl)-1,3-oxazolidin-2-one3-(p-tolyl)oxazolidin-2-oneNSC40496SCHEMBL2535607SCHEMBL2535612NSC-40496
Show more names
2-Oxazolidinone, 3-(4-methylphenyl)-
3-(4-Methylphenyl)-1,3-oxazolidin-2-one #
Database identifiers
- CAS
5198-46-9- PubChem CID
- 237191
- DTXSID
DTXSID70285105- Nikkaji
- J1.401.129C
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 197
Physicochemical properties
- Melting point
- 91 °C · 91 °C
- Boiling point
- 287.9 · 287.9±10.0 °C(Predicted)
- Density
- 1.199 · 1.199±0.06 g/cm3(Predicted)
- pka
- 0.75 · 0.75±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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