Basic information
- Standard SMILES
CCOC(=O)C(=O)CC(=O)C=Cc1ccc(Cl)cc1- InChIKey
RZOKOCSANAWZCH-UHFFFAOYSA-N- Molecular formula
- C14H13ClO4
- Average molar mass
- 280.7 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-(4-chlorophenyl)-2,4-dioxo-hex-5-enoate
- IUPAC
- ethyl 6-(4-chlorophenyl)-2,4-dioxohex-5-enoate
Names & synonyms
SCHEMBL1703010RZOKOCSANAWZCH-UHFFFAOYSA-Nethyl 6-(4-chlorophenyl)-2,4-dioxohex-5-enoateEthyl 6-(4-chlorophenyl)-2,4-dioxo-hex-5-enoate
Database identifiers
- PubChem CID
- 610034
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 368
Related reactions
10 records
Compound notes
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