CAS
99196-24-4 Purity
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99196-24-4 Purity
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The molecular formula is C10H5FO4.
The molecular weight is 208.14 g/mol.
The IUPAC name is 6-fluoro-4-oxochromene-2-carboxylic acid.
The InChI is InChI=1S/C10H5FO4/c11-5-1-2-8-6(3-5)7(12)4-9(15-8)10(13)14/h1-4H,(H,13,14).
The InChIKey is JZJYDFADRMBXAW-UHFFFAOYSA-N.
The canonical SMILES is C1=CC2=C(C=C1F)C(=O)C=C(O2)C(=O)O.
The CAS number is 99199-59-4.
The ChEMBL ID is CHEMBL1213611.
There are 5 hydrogen bond acceptors.
Yes, it is a canonicalized compound.