CAS
1060814-58-5 Purity
97%
1060814-58-5 Purity
97%
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Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate
CAS
144740-55-6
Catalog Number
ACM144740556
Category
Pyridines
Molecular Weight
221.13
Molecular Formula
C8H6F3NO3
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What is the molecular formula of Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate?
The molecular formula is C8H6F3NO3.
When was Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate created and last modified?
It was created on 2007-02-09 and last modified on 2023-12-30.
What is the IUPAC name of Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate?
The IUPAC name is methyl 2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate.
What is the Canonical SMILES representation of Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate?
The Canonical SMILES representation is COC(=O)C1=CC=C(NC1=O)C(F)(F)F.
What is the InChI key of Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate?
The InChI key is GBHCRQPCBVJSCG-UHFFFAOYSA-N.
How many hydrogen bond donor counts does Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate?
The topological polar surface area is 55.4 Ų.
What is the exact mass of Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate?
The exact mass is 221.02997754 g/mol.
How many rotatable bond counts does Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate have?
It has 2 rotatable bond counts.
Is Methyl 2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carboxylate a canonicalized compound?
Yes, it is a canonicalized compound according to PubChem.
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