2746-14-7 Purity
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Specification
The molecular formula of (R)-4-Fluoromandelic acid is C8H7FO3.
The molecular weight of (R)-4-Fluoromandelic acid is 170.14 g/mol.
The IUPAC name of (R)-4-Fluoromandelic acid is (2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid.
The InChI of (R)-4-Fluoromandelic acid is InChI=1S/C8H7FO3/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,10H,(H,11,12)/t7-/m1/s1.
The InChIKey of (R)-4-Fluoromandelic acid is RWCMOQXHIDWDDJ-SSDOTTSWSA-N.
The canonical SMILES of (R)-4-Fluoromandelic acid is C1=CC(=CC=C1C(C(=O)O)O)F.
The isomeric SMILES of (R)-4-Fluoromandelic acid is C1=CC(=CC=C1[C@H](C(=O)O)O)F.
The CAS number of (R)-4-Fluoromandelic acid is 32222-45-0.
The XLogP3 value of (R)-4-Fluoromandelic acid is 0.7.
Yes, (R)-4-Fluoromandelic acid is a canonicalized compound.