(2R,3AR)-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carbaldehyde
Basic information
- CAS
116721-83-6- Standard SMILES
O=C[C@H]1C[C@H]2CCCCN2O1- InChIKey
VDZGIIOVACLOED-HTQZYQBOSA-N- Molecular formula
- C8H13NO2
- Average molar mass
- 155.19 g/mol
Names & identifiers
- Preferred name
- (2R,3AR)-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carbaldehyde
- IUPAC
- (2R,3aR)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carbaldehyde
- English name
- 2H-Isoxazolo[2,3-a]pyridine-2-carboxaldehyde, hexahydro-, trans- (9CI)
- Molecular formula
- C8H13NO2
- Molecular weight
- 155.19
Names & synonyms
116721-83-6(2R,3AR)-hexahydro-2H-isoxazolo[2,3-a]pyridine-2-carbaldehyde(2R,3Ar)-3,3a,4,5,6,7-hexahydro-2H-[1,2]oxazolo[2,3-a]pyridine-2-carbaldehyde2H-Isoxazolo[2,3-a]pyridine-2-carboxaldehyde, hexahydro-, trans- (9CI)
Database identifiers
- CAS
116721-83-6
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Boiling point
- 229.4 · 229.4±42.0 °C(Predicted)
- Density
- 1.15 · 1.15±0.1 g/cm3(Predicted)
- pka
- 3.15 · 3.15±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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