946061-21-8 Purity
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Specification
The molecular formula is C6H6F3NO4.
It was created on 2019-01-15 and last modified on 2023-12-30.
Some synonyms include ethyl 4,4,4-trifluoro-2-(hydroxyimino)-3-oxobutanoate and ethyl (E)-4,4,4-trifluoro-3-hydroxy-2-nitrosobut-2-enoate.
The molecular weight is 213.11 g/mol.
The IUPAC name is ethyl (E)-4,4,4-trifluoro-3-hydroxy-2-nitrosobut-2-enoate.
The InChIKey is ADLCTQSTKWOPJT-ONEGZZNKSA-N.
The Canonical SMILES is CCOC(=O)C(=C(C(F)(F)F)O)N=O.
The XLogP3-AA value is 1.4.
It has 1 hydrogen bond donor count.
Yes, the compound is canonicalized.