4-(Pyridin-3-yloxy)butanal
Completing data — refresh the page later to see the latest
Basic information
- CAS
228546-48-3- Standard SMILES
O=CCCCOc1cccnc1- InChIKey
IEOTYNWYMTXZMC-UHFFFAOYSA-N- Molecular formula
- C9H11NO2
- Average molar mass
- 165.19 g/mol
- Monoisotopic mass
- 165.07897859
Names & identifiers
- Preferred name
- 4-(Pyridin-3-yloxy)butanal
- IUPAC
- 4-pyridin-3-yloxybutanal
- English name
- Butanal, 4-(3-pyridinyloxy)- (9CI)
- Molecular formula
- C9H11NO2
- Molecular weight
- 165.19
Names & synonyms
4-(pyridin-3-yloxy)butanal4-pyridin-3-yloxybutanal228546-48-3Butanal, 4-(3-pyridinyloxy)- (9CI)BUTANAL, 4-(3-PYRIDINYLOXY)-DB-342500
Database identifiers
- CAS
228546-48-3- PubChem CID
- 10986602
- Nikkaji
- J1.139.142G
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 128
Physicochemical properties
- Boiling point
- 306.5 · 306.5±22.0 °C(Predicted)
- Density
- 1.076 · 1.076±0.06 g/cm3(Predicted)
- pka
- 4.69 · 4.69±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…