Basic information
- CAS
15851-88-4- Standard SMILES
CC1(C)OC(=O)C(=Cc2ccccc2Cl)C(=O)O1- InChIKey
NUHDRLKVOVWUTD-UHFFFAOYSA-N- Molecular formula
- C13H11ClO4
- Average molar mass
- 266.67 g/mol
- Monoisotopic mass
- 266.0345865
Names & identifiers
- Preferred name
- 5-(2-Chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(2-chlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-(2-Chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione
- Molecular formula
- C13H11ClO4
- Molecular weight
- 266.68
Names & synonyms
5-(2-Chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC63663615851-88-45-[(2-chlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dioneDTXSID903271775-[(2-chlorophenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dioneAKOS002960165NSC-6366362,2-Dimethyl-5-(2-chlorobenzylidene)-1,3-dioxane-4,6-dione1,3-Dioxane-4,6-dione, 5-[(2-chlorophenyl)methylene]-2,2-dimethyl-
Database identifiers
- CAS
15851-88-4- PubChem CID
- 367167
- DTXSID
DTXSID90327177- Nikkaji
- J112.366A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Melting point
- 133 °C · 133 °C
- Boiling point
- 502.5 · 502.5±50.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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