CAS
2106-02-7 Purity
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2106-02-7 Purity
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Specification
The molecular formula is C8H7FO3.
The molecular weight is 170.14 g/mol.
The IUPAC name is 2-fluoro-4-(hydroxymethyl)benzoic acid.
The InChI is InChI=1S/C8H7FO3/c9-7-3-5(4-10)1-2-6(7)8(11)12/h1-3,10H,4H2,(H,11,12).
The InChIKey is ZCRWSMHXYHEAQD-UHFFFAOYSA-N.
The canonical SMILES is C1=CC(=C(C=C1CO)F)C(=O)O.
The CAS number is 214554-18-4.
The European Community (EC) number is 630-166-5.
The DSSTox Substance ID is DTXSID60430743.
Yes, it is a canonicalized compound.