Basic information
- CAS
4652-28-2- Standard SMILES
O=CC=COC=CC=O- InChIKey
RBAUDXPPHGLQEW-UHFFFAOYSA-N- Molecular formula
- C6H6O3
- Average molar mass
- 126.11 g/mol
- Monoisotopic mass
- 126.03169405
Names & identifiers
- Preferred name
- 3,3a(2)-Oxybis[2-propenal]
- IUPAC
- 3-(3-oxoprop-1-enoxy)prop-2-enal
Names & synonyms
4652-28-23,3'-Oxydi(prop-2-enal)SCHEMBL85196013,3a(2)-Oxybis[2-propenal]DTXSID801314094
Database identifiers
- CAS
4652-28-2- PubChem CID
- 20765
- DTXSID
DTXSID801314094
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 119
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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