3-Hydroxyperillaldehyde
Basic information
- CAS
1932348-11-2- Standard SMILES
C=C(C)[C@@H]1CCC(C=O)=C[C@H]1O- InChIKey
CGYLWHVYZDSTDR-VHSXEESVSA-N- Molecular formula
- C10H14O2
- Average molar mass
- 166.22 g/mol
Overview
3-Hydroxyperillaldehyde has been reported in Ammodaucus leucotrichus with data available.
Names & identifiers
- Preferred name
- 3-Hydroxyperillaldehyde
- IUPAC
- (3R,4S)-3-hydroxy-4-prop-1-en-2-ylcyclohexene-1-carbaldehyde
- English name
- 3-Hydroxyperillaldehyde
- Molecular formula
- C10H14O2
- Molecular weight
- 166.22
Names & synonyms
3-Hydroxyperillaldehyde1932348-11-2orb1680866TN5869AKOS0407630011-Cyclohexene-1-carboxaldehyde, 3-hydroxy-4-(1-methylethenyl)-, (3R,4S)-
Database identifiers
- CAS
1932348-11-2- Nikkaji
- J815.254C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 228
Physicochemical properties
- Boiling point
- 271.4 · 271.4±40.0 °C(Predicted)
- Density
- 1.132 · 1.132±0.06 g/cm3(Predicted)
- pka
- 14.15 · 14.15±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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