Ethyl 8-(3-chlorophenyl)-8-oxooctanoate
Basic information
- CAS
898752-20-0- Standard SMILES
CCOC(=O)CCCCCCC(=O)c1cccc(Cl)c1- InChIKey
UEEFJIXVTZMXSX-UHFFFAOYSA-N- Molecular formula
- C16H21ClO3
- Average molar mass
- 296.79 g/mol
- Monoisotopic mass
- 296.1179222
Names & identifiers
- Preferred name
- Ethyl 8-(3-chlorophenyl)-8-oxooctanoate
- IUPAC
- ethyl 8-(3-chlorophenyl)-8-oxooctanoate
- English name
- ETHYL 8-(3-CHLOROPHENYL)-8-OXOOCTANOATE
- Molecular formula
- C16H21ClO3
- Molecular weight
- 296.79
Names & synonyms
ETHYL 8-(3-CHLOROPHENYL)-8-OXOOCTANOATE898752-20-0MFCD01320240ETHYL8-(3-CHLOROPHENYL)-8-OXOOCTANOATEDTXSID20645578AKOS016023205MS-20984ethyl 8-(3-chlorophenyl)-8-oxo-octanoateF207740Benzeneoctanoic acid, 3-chloro-η-oxo-, ethyl ester
Database identifiers
- CAS
898752-20-0- PubChem CID
- 24727353
- DTXSID
DTXSID20645578
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 404.6 · 404.6±30.0 °C(Predicted)
- Density
- 1.105 · 1.105±0.06 g/cm3(Predicted)
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Compound notes
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