Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1cc(Cl)ccc1O- InChIKey
MDPRGWOMDSIXEQ-UHFFFAOYSA-N- Molecular formula
- C11H11ClO4
- Average molar mass
- 242.65 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(5-chloro-2-hydroxyphenyl)-3-oxo-propionate
- IUPAC
- ethyl 3-(5-chloro-2-hydroxyphenyl)-3-oxopropanoate
Names & synonyms
215124-31-5SCHEMBL6094414MDPRGWOMDSIXEQ-UHFFFAOYSA-NDA-34172ethyl 3-(5-chloro-2-hydroxyphenyl)-3-oxo-propionate
Database identifiers
- PubChem CID
- 21883695
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 267
Related reactions
11 records
Compound notes
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