4-Oxo-4-[2-(trifluoromethyl)phenyl]-2-butenoic acid
Basic information
- CAS
53498-71-8- Standard SMILES
O=C(O)C=CC(=O)c1ccccc1C(F)(F)F- InChIKey
BROOTCPLSSJHAP-UHFFFAOYSA-N- Molecular formula
- C11H7F3O3
- Average molar mass
- 244.17 g/mol
- Monoisotopic mass
- 244.03472857
Names & identifiers
- Preferred name
- 4-Oxo-4-[2-(trifluoromethyl)phenyl]-2-butenoic acid
- IUPAC
- 4-oxo-4-[2-(trifluoromethyl)phenyl]but-2-enoic acid
Names & synonyms
4-oxo-4-[2-(trifluoromethyl)phenyl]but-2-enoic acid53498-71-84-Oxo-4-[2-(trifluoromethyl)phenyl]-2-butenoic acidSCHEMBL11783131DTXSID901223646
Database identifiers
- CAS
53498-71-8- PubChem CID
- 53697482
- DTXSID
DTXSID901223646
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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