Basic information
- CAS
165115-69-5- Standard SMILES
CCC[C@H]1COC(=O)N1- InChIKey
AZXNSLLITCXHBI-YFKPBYRVSA-N- Molecular formula
- C6H11NO2
- Average molar mass
- 129.16 g/mol
- Monoisotopic mass
- 129.07897859
Names & identifiers
- Preferred name
- AG-E-14754
- IUPAC
- (4S)-4-propyl-1,3-oxazolidin-2-one
- English name
- (4S)-4-Propyl-2-oxazolidinone
- Molecular formula
- C6H11NO2
- Molecular weight
- 129.16
Names & synonyms
165115-69-5DTXSID90429044AG-E-14754RefChem:317387DTXCID90379878(4S)-4-propyl-1,3-oxazolidin-2-one(S)-4-propyloxazolidin-2-oneSCHEMBL1439579AZXNSLLITCXHBI-YFKPBYRVSA-N(4S)-4-Propyl-2-oxazolidinone2-Oxazolidinone, 4-propyl-, (S)- (9CI)
Database identifiers
- CAS
165115-69-5- PubChem CID
- 8063309
- DTXSID
DTXSID90429044
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 114
Physicochemical properties
- Boiling point
- 302.5 · 302.5±9.0 °C(Predicted)
- Density
- 1.022 · 1.022±0.06 g/cm3(Predicted)
- pka
- 12.84 · 12.84±0.40(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
Ivy Fine Chemicals[email protected]
Related reactions
2 records
Compound notes
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