CAS
1257-78-9 Purity
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1257-78-9 Purity
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Specification
The molecular formula is C3H3F3O3.
It has a molecular weight of 144.05 g/mol.
The IUPAC name is (2S)-3,3,3-trifluoro-2-hydroxypropanoic acid.
The InChI code is InChI=1S/C3H3F3O3/c4-3(5,6)1(7)2(8)9/h1,7H,(H,8,9)/t1-/m0/s1.
The InChIKey is BVKGUTLIPHZYCX-SFOWXEAESA-N.
The canonical SMILES is C(C(=O)O)(C(F)(F)F)O.
It has 2 hydrogen bond donor counts.
It has 6 hydrogen bond acceptor counts.
It has 1 rotatable bond count.
Yes, (S)-(-)-3,3,3-Trifluoro-2-hydroxypropanoic acid is canonicalized.