6-(Trichloroacetyl)cyclohex-3-ene-1-carboxylic acid
Basic information
- CAS
73839-57-3- Standard SMILES
O=C(O)C1CC=CCC1C(=O)C(Cl)(Cl)Cl- InChIKey
IWQXJQXUCSQFEC-UHFFFAOYSA-N- Molecular formula
- C9H9Cl3O3
- Average molar mass
- 271.5 g/mol
- Monoisotopic mass
- 269.961727
Names & identifiers
- Preferred name
- 6-(Trichloroacetyl)cyclohex-3-ene-1-carboxylic acid
- IUPAC
- 6-(2,2,2-trichloroacetyl)cyclohex-3-ene-1-carboxylic acid
- English name
- 6-(Trichloroacetyl)-3-cyclohexene-1-carboxylic acid
- Molecular formula
- C9H9Cl3O3
- Molecular weight
- 271.52
Names & synonyms
73839-57-36-(trichloroacetyl)cyclohex-3-ene-1-carboxylic acidDTXSID00994955RefChem:1073758DTXCID4014219866-(Trichloroacetyl)-3-cyclohexene-1-carboxylic acid3-Cyclohexene-1-carboxylic acid, 6-(trichloroacetyl)-NSC 90881BRN 2698367NSC90881NSC-908813-Cyclohexene-1-carboxylic acid, 6-(2,2,2-trichloroacetyl)-
Database identifiers
- CAS
73839-57-3- PubChem CID
- 98226
- DTXSID
DTXSID00994955- Nikkaji
- J77.849D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 306
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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