Basic information
- CAS
118354-84-0- Standard SMILES
CCCCCC(O)C1OC1C=O- InChIKey
RWEZZEBPLLEJBN-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 3-(1-Hydroxyhexyl)oxirane-2-carbaldehyde
- IUPAC
- 3-(1-hydroxyhexyl)oxirane-2-carbaldehyde
- English name
- 2,3-Epoxy-4-hydroxynonanal
- Molecular formula
- C9H16O3
- Molecular weight
- 172.22
Names & synonyms
118354-84-03-(1-hydroxyhexyl)oxirane-2-carbaldehydeOxiranecarboxaldehyde, 3-(1-hydroxyhexyl)-SCHEMBL19859373DTXSID909226662,3-Epoxy-4-hydroxynonanal2-Oxiranecarboxaldehyde, 3-(1-hydroxyhexyl)-
Database identifiers
- CAS
118354-84-0- PubChem CID
- 147246
- DTXSID
DTXSID90922666- Nikkaji
- J357.907G
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 147
Physicochemical properties
- Boiling point
- 278.3 · 278.3±15.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- pka
- 14 · 14+-.0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…