beta-Ethoxyacrolein
Basic information
- CAS
19060-08-3- Standard SMILES
CCO/C=C\C=O- InChIKey
SYIPIVAOEFWMBA-HYXAFXHYSA-N- Molecular formula
- C5H8O2
- Average molar mass
- 100.12 g/mol
- Monoisotopic mass
- 100.05242949
Overview
RN given refers to cpd without isomeric designation; structure
Names & identifiers
- Preferred name
- beta-Ethoxyacrolein
- IUPAC
- (Z)-3-ethoxyprop-2-enal
- English name
- beta-ethoxyacrolein
- Molecular formula
- C5H8O2
- Molecular weight
- 100.12
Names & synonyms
beta-EthoxyacroleinRefChem:1193672-Propenal, 3-ethoxy-19060-08-33-Ethoxy-2-propenalBRN 2322694ACROLEIN, 3-ETHOXY-3-Ethoxyacrylaldehyde3-Ethoxyacrolein
Database identifiers
- CAS
19060-08-3- PubChem CID
- 6433732
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 66.5
Physicochemical properties
- Boiling point
- 77 · 77-81 °C(Press: 14 Torr)
- Density
- 0.9835 g/cm3 · 0.9835 g/cm3
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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