4-Hydroperoxynon-2-enal
Basic information
- CAS
83920-83-6- Standard SMILES
CCCCCC(C=CC=O)OO- InChIKey
TVNYLRYVAZWBEH-UHFFFAOYSA-N- Molecular formula
- C9H16O3
- Average molar mass
- 172.22 g/mol
- Monoisotopic mass
- 172.10994437
Names & identifiers
- Preferred name
- 4-Hydroperoxynon-2-enal
- IUPAC
- 4-hydroperoxynon-2-enal
Names & synonyms
4-HYDROPEROXYNON-2-ENALSCHEMBL5696182PD050292NS00018673
Database identifiers
- CAS
83920-83-6- PubChem CID
- 55189
- DTXSID
DTXSID801347877
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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