| CAS Number | 174011-58-6 |
| Catalog Number | AG019EQE(AGN-PC-024UEG) |
| Chemical Name | 4-Oxo-6-(Trifluoromethoxy)-4H-Chromene-2-Carboxylic Acid |
| IUPAC Name | 4-oxo-6-(trifluoromethoxy)chromene-2-carboxylic acid |
| InChI | InChI=1S/C11H5F3O5/c12-11(13,14)19-5-1-2-8-6(3-5)7(15)4-9(18-8)10(16)17/h1-4H,(H,16,17) |
| InChI Key | OPSSGAQQBKUUGE-UHFFFAOYSA-N |
| MDL Number | MFCD25960034 |
| Molecular Formula | C11H5F3O5 |
| Molecular Weight | 274.1496 |
| SMILES | OC(=O)c1cc(=O)c2cc(OC(F)(F)F)ccc2o1 |
| Synonyms | 174011-58-6,
6-trifluoromethoxychromone-2-carboxylic acid,
4-Oxo-6-(trifluoromethoxy)-4H-chromene-2-carboxylic acid,
SCHEMBL5564432,
OPSSGAQQBKUUGE-UHFFFAOYSA-N,
MFCD25960034,
AKOS030524486,
CS-0060039,
6-(trifluoromethoxy)chromone-2-carboxylic acid,
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| Complexity | 429 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.009g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.151g/mol |
| Monoisotopic Mass | 274.009g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
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Certificate of Analysis
Lot Number