Basic information
- CAS
20521-42-0- Standard SMILES
C=CC(C=O)=CC- InChIKey
XOBGIOGZLQNHMM-UHFFFAOYSA-N- Molecular formula
- C6H8O
- Average molar mass
- 96.13 g/mol
- Monoisotopic mass
- 96.05751487
Names & identifiers
- Preferred name
- 2-Ethenyl-2-butenal
- IUPAC
- 2-ethenylbut-2-enal
Names & synonyms
2-ETHENYL-2-BUTENAL20521-42-0RefChem:2602182-Vinyl-2-butenal2-ethenylbut-2-enal2-Butenal, 2-ethenyl-SCHEMBL2039137SCHEMBL2050665XOBGIOGZLQNHMM-UHFFFAOYSA-NDTXSID401315557DB-251663NS00051783
Database identifiers
- CAS
20521-42-0- PubChem CID
- 30177
- DTXSID
DTXSID401315557- EC Number
- 243-859-9
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 101
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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