7-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromene-8-carbaldehyde
Basic information
- CAS
2403729-19-9- Standard SMILES
O=Cc1c(O)ccc2c(C(F)(F)F)cc(=O)oc12- InChIKey
VCMFMROPWZCOTO-UHFFFAOYSA-N- Molecular formula
- C11H5F3O4
- Average molar mass
- 258.15 g/mol
- Monoisotopic mass
- 258.01399312
Names & identifiers
- Preferred name
- 7-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromene-8-carbaldehyde
- IUPAC
- 7-hydroxy-2-oxo-4-(trifluoromethyl)chromene-8-carbaldehyde
Names & synonyms
2403729-19-97-hydroxy-2-oxo-4-(trifluoromethyl)-2H-chromene-8-carbaldehyde
Database identifiers
- CAS
2403729-19-9- PubChem CID
- 178201229
- EC Number
- 197-358-4
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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