CAS
99198-80-8 Purity
97%
99198-80-8 Purity
97%
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Specification
The molecular formula is C10H9FO3.
The molecular weight is 196.17 g/mol.
The IUPAC name is 6-fluoro-3,4-dihydro-2H-chromene-2-carboxylic acid.
The InChI is InChI=1S/C10H9FO3/c11-7-2-4-8-6(5-7)1-3-9(14-8)10(12)13/h2,4-5,9H,1,3H2,(H,12,13).
The InChIKey is ZNJANLXCXMVFFI-UHFFFAOYSA-N.
The Canonical SMILES is C1CC2=C(C=CC(=C2)F)OC1C(=O)O.
The CAS number is 99199-60-7.
The XLogP3 value is 2.
It has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.