(S)-3-(1-Hydroxyethyl)pyridine 1-oxide
Basic information
- CAS
129547-86-0- Standard SMILES
C[C@H](O)c1ccc[n+]([O-])c1- InChIKey
BKEWBKVKOXHXOQ-LURJTMIESA-N- Molecular formula
- C7H9NO2
- Average molar mass
- 139.15 g/mol
- Monoisotopic mass
- 139.06332853
Names & identifiers
- Preferred name
- (S)-3-(1-Hydroxyethyl)pyridine 1-oxide
- IUPAC
- (1S)-1-(1-oxidopyridin-1-ium-3-yl)ethanol
- English name
- 3-Pyridinemethanol,alpha-methyl-,1-oxide,(S)-(9CI)
- Molecular formula
- C7H9NO2
- Molecular weight
- 139.15
Names & synonyms
UKY47239ST(S)-3-(1-Hydroxyethyl)pyridine 1-oxide3-(1-Hydroxyethyl)pyridine 1-oxide, (S)-3-[(1S)-1-Hydroxyethyl]pyridin-1-ium-1-olate3-Pyridinemethanol, alpha-methyl-, 1-oxide, (S)-129547-86-03-Pyridinemethanol, α-methyl-, 1-oxide, (S)- (9CI)3-Pyridinemethanol,alpha-methyl-,1-oxide,(S)-(9CI)
Database identifiers
- CAS
129547-86-0- PubChem CID
- 820550
- UNII
- UKY47239ST
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 45.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 108
Physicochemical properties
- Boiling point
- 360.8 · 360.8±17.0 °C(Predicted)
- Density
- 1.14 · 1.14±0.1 g/cm3(Predicted)
- pka
- 13.4 · 13.40±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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