Basic information
- CAS
15851-87-3- Standard SMILES
CC1(C)OC(=O)C(=Cc2ccc(Cl)cc2)C(=O)O1- InChIKey
DUJDRVWHPONYCK-UHFFFAOYSA-N- Molecular formula
- C13H11ClO4
- Average molar mass
- 266.67 g/mol
- Monoisotopic mass
- 266.0345865
Names & identifiers
- Preferred name
- 5-[(4-Chlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- IUPAC
- 5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
- English name
- 5-[(4-CHLOROPHENYL)METHYLENE]-2,2-DIMETHYL-1,3-DIOXANE-4,6-DIONE
- Molecular formula
- C13H11ClO4
- Molecular weight
- 266.68
Names & synonyms
15851-87-35-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione5-(4-Chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dioneNSC6366295-[(4-chlorophenyl)methylene]-2,2-dimethyl-1,3-dioxane-4,6-dione1,3-dioxane-4,6-dione, 5-[(4-chlorophenyl)methylene]-2,2-dimethyl-SCHEMBL658436CHEMBL1214030DTXSID703271755-(p-chlorobenzyliden)-2,2-dimethyl-1,3-dioxane-4,6-dioneMalonic acid, (p-chlorobenzylidene)-, cyclic isopropylidene ester1,3-Dioxane-4,6-dione, 5-[(4-chlorophenyl)methylene]-5,5-dimethyl-
Show more names
2-(4-Chlorobenzylidene)malonic acid isopropylidene ester
AKOS002960163NSC-6366292B-0635-(4-Chlorobenzylidene)-2,2-dimethyl-1,3-dioxane-4,6-dione #
Database identifiers
- CAS
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
- 370
Physicochemical properties
- Melting point
- 162 °C · 162 °C
- Boiling point
- 506 · 506.0±50.0 °C(Predicted)
- Density
- 1.335 · 1.335±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
Related reactions
1 records
Compound notes
Loading…