Butenedial
Basic information
- CAS
2363-83-9- Standard SMILES
O=CC=CC=O- InChIKey
JGEMYUOFGVHXKV-UHFFFAOYSA-N- Molecular formula
- C4H4O2
- Average molar mass
- 84.07 g/mol
- Monoisotopic mass
- 84.02112937
Names & identifiers
- Preferred name
- Butenedial
- IUPAC
- but-2-enedial
- English name
- malealdehyde
- Molecular formula
- C4H4O2
- Molecular weight
- 84.07
Names & synonyms
butenedialRefChem:9376172363-83-9but-2-ene-1,4-dioneSCHEMBL322831SCHEMBL5820531SCHEMBL6365840SCHEMBL9207872SCHEMBL11769333SCHEMBL11769337Q271173832-Butenedial
Show more names
malealdehydemaleic dialdehyde
Database identifiers
- CAS
2363-83-9- PubChem CID
- 75389
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 63.6
Physicochemical properties
- Boiling point
- 189.5 · 189.5±23.0 °C(Predicted)
- Density
- 1.015 · 1.015±0.06 g/cm3(Predicted)
Chemistry & industry
Applications
Uses2-Butenedial is an intermediate used in the synthesis of (2E,4E,6Z)-2,4,6-Nonatrienal (N649575), which is a natural aroma compound found in variety of foods such as oats and black tea.
Additional notes
DefinitionChEBI: But-2-enedial is a dialdehyde.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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