3-(2,4-Dichlorobenzoyl)-6-methyl-2H-pyran-2,4(3H)-dione
Basic information
- CAS
114291-42-8- Standard SMILES
CC1=CC(=O)C(C(=O)c2ccc(Cl)cc2Cl)C(=O)O1- InChIKey
XRRNKMMTGXALHW-UHFFFAOYSA-N- Molecular formula
- C13H8Cl2O4
- Average molar mass
- 299.1 g/mol
- Monoisotopic mass
- 297.9799641
Names & identifiers
- Preferred name
- 3-(2,4-Dichlorobenzoyl)-6-methyl-2H-pyran-2,4(3H)-dione
- IUPAC
- 3-(2,4-dichlorobenzoyl)-6-methylpyran-2,4-dione
Names & synonyms
114291-42-8DTXSID005567193-(2,4-Dichlorobenzoyl)-6-methyl-2H-pyran-2,4(3H)-dione
Database identifiers
- CAS
114291-42-8- PubChem CID
- 14153302
- DTXSID
DTXSID00556719
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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