| CAS Number | 1040348-99-9 |
| Catalog Number | AG01ARE5 |
| Chemical Name | 5-[(4-fluorophenyl)methoxy]-4-oxo-4H-pyran-2-carboxylic acid |
| IUPAC Name | 5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid |
| InChI | InChI=1S/C13H9FO5/c14-9-3-1-8(2-4-9)6-18-12-7-19-11(13(16)17)5-10(12)15/h1-5,7H,6H2,(H,16,17) |
| InChI Key | SXYSVRFJFOVLDV-UHFFFAOYSA-N |
| MDL Number | MFCD16171006 |
| Molecular Formula | C13H9FO5 |
| Molecular Weight | 264.2060 |
| SMILES | OC(C1OC=C(OCC2=CC=C(F)C=C2)C(=O)C=1)=O |
| Synonyms | 1040348-99-9,
5-[(4-fluorobenzyl)oxy]-4-oxo-4H-pyran-2-carboxylic acid,
5-[(4-Fluorophenyl)methoxy]-4-oxo-4H-pyran-2-carboxylic acid,
SCHEMBL10328594,
5-[(4-fluorophenyl)methoxy]-4-oxopyran-2-carboxylic acid,
STL407278,
ZINC26423424,
AKOS005207340,
MCULE-6388347993,
F2158-0174,
|
| Complexity | 432 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.208g/mol |
| Monoisotopic Mass | 264.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 72.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number