CAS
98447-30-4 Purity
96%
98447-30-4 Purity
96%
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Butanedioic acid,2-methylene-,1,4-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]ester
CAS
98452-82-5
Catalog Number
ACM98452825
Category
Other Products
Molecular Weight
430.14
Molecular Formula
C11H6F12O4
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What is the molecular formula of Butanedioic acid, 2-methylene-, 1,4-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]ester?
The molecular formula is C11H6F12O4.
When was the compound first created and when was it last modified?
The compound was first created on July 19, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-yl) 2-methylidenebutanedioate.
What is the InChI of the compound?
The InChI is InChI=1S/C11H6F12O4/c1-3(5(25)27-7(10(18,19)20)11(21,22)23)2-4(24)26-6(8(12,13)14)9(15,16)17/h6-7H,1-2H2.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C=C(CC(=O)OC(C(F)(F)F)C(F)(F)F)C(=O)OC(C(F)(F)F)C(F)(F)F.
What is the molecular weight of Butanedioic acid, 2-methylene-, 1,4-bis[2,2,2-trifluoro-1-(trifluoromethyl)ethyl]ester?
The molecular weight is 430.14 g/mol.
How many hydrogen bond acceptor counts does the compound have?
The compound has 16 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 52.6 Ų.
How many rotatable bond counts does the compound have?
The compound has 7 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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