2-(3,4-Dichloro-phenyl)-3-(3-oxo-cyclopentyl)-propionic acid methyl ester
Basic information
- Standard SMILES
COC(=O)C(CC1CCC(=O)C1)c1ccc(Cl)c(Cl)c1- InChIKey
XOKZXPJRQJGJAZ-UHFFFAOYSA-N- Molecular formula
- C15H16Cl2O3
- Average molar mass
- 315.2 g/mol
Names & identifiers
- Preferred name
- 2-(3,4-Dichloro-phenyl)-3-(3-oxo-cyclopentyl)-propionic acid methyl ester
- IUPAC
- methyl 2-(3,4-dichlorophenyl)-3-(3-oxocyclopentyl)propanoate
Names & synonyms
SCHEMBL2643176XOKZXPJRQJGJAZ-UHFFFAOYSA-N2-(3,4-dichloro-phenyl)-3-(3-oxo-cyclopentyl)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 67482255
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
3 records
Compound notes
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