2,6-Dichloroacetosyringone
Basic information
- CAS
94649-71-5- Standard SMILES
COc1c(O)c(OC)c(Cl)c(C(C)=O)c1Cl- InChIKey
XGZSUHUUHPPTOE-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2O4
- Average molar mass
- 265.09 g/mol
- Monoisotopic mass
- 263.9956142
Names & identifiers
- Preferred name
- 2,6-Dichloroacetosyringone
- IUPAC
- 1-(2,6-dichloro-4-hydroxy-3,5-dimethoxyphenyl)ethanone
Names & synonyms
94649-71-52,6-DichloroacetosyringoneDTXSID409153861-(2,6-Dichloro-4-hydroxy-3,5-dimethoxyphenyl)ethan-1-one
Database identifiers
- CAS
94649-71-5- PubChem CID
- 185362
- DTXSID
DTXSID40915386
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 243
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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