| CAS Number | 1601177-71-2 |
| Catalog Number | AG01BH0J(AGN-PC-0WORVT) |
| Chemical Name | 7-fluoro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid |
| IUPAC Name | 7-fluoro-1-oxo-3,4-dihydroisochromene-3-carboxylic acid |
| InChI | InChI=1S/C10H7FO4/c11-6-2-1-5-3-8(9(12)13)15-10(14)7(5)4-6/h1-2,4,8H,3H2,(H,12,13) |
| InChI Key | GFOSNMAGOIQQRL-UHFFFAOYSA-N |
| MDL Number | MFCD26381482 |
| Molecular Formula | C10H7FO4 |
| Molecular Weight | 210.1586 |
| SMILES | OC(C1OC(=O)C2=C(C=CC(=C2)F)C1)=O |
| Synonyms | 7-fluoro-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxylic acid,
1601177-71-2,
AKOS026742056,
Z1946684614,
|
| Complexity | 291 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.033g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.16g/mol |
| Monoisotopic Mass | 210.033g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number