| CAS Number | 1226195-55-6 |
| Catalog Number | AG01BI42 |
| Chemical Name | 8-fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid |
| IUPAC Name | 8-fluoro-3,4-dihydro-2H-chromene-4-carboxylic acid |
| InChI | InChI=1S/C10H9FO3/c11-8-3-1-2-6-7(10(12)13)4-5-14-9(6)8/h1-3,7H,4-5H2,(H,12,13) |
| InChI Key | NGVSTYVIMDWOMA-UHFFFAOYSA-N |
| MDL Number | MFCD16304250 |
| Molecular Formula | C10H9FO3 |
| Molecular Weight | 196.1751 |
| SMILES | OC(C1C2=C(C(=CC=C2)F)OCC1)=O |
| Synonyms | 8-fluoro-3,4-dihydro-2H-1-benzopyran-4-carboxylic acid,
1226195-55-6,
AKOS022302242,
Z2798559780,
|
| Complexity | 231 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.177g/mol |
| Monoisotopic Mass | 196.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
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Certificate of Analysis
Lot Number