(4S)-4-ethynyl-1-(hydroxymethyl)azetidin-2-one
Basic information
- CAS
169498-58-2- Standard SMILES
C#C[C@@H]1CC(=O)N1CO- InChIKey
UIFHWKAPUHEDFO-RXMQYKEDSA-N- Molecular formula
- C6H7NO2
- Average molar mass
- 125.13 g/mol
Names & identifiers
- Preferred name
- (4S)-4-ethynyl-1-(hydroxymethyl)azetidin-2-one
- IUPAC
- (4S)-4-ethynyl-1-(hydroxymethyl)azetidin-2-one
- English name
- 2-Azetidinone, 4-ethynyl-1-(hydroxymethyl)-, (S)- (9CI)
- Molecular formula
- C6H7NO2
- Molecular weight
- 125.13
Names & synonyms
169498-58-2(4S)-4-ethynyl-1-(hydroxymethyl)azetidin-2-one2-Azetidinone, 4-ethynyl-1-(hydroxymethyl)-, (S)- (9CI)
Database identifiers
- CAS
169498-58-2
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 285.6 · 285.6±40.0 °C(Predicted)
- Density
- 1.3 · 1.30±0.1 g/cm3(Predicted)
- pka
- 13.41 · 13.41±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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