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Structure

Bis[2-[(2-methyl-1-oxoallyl)oxy]ethyl]4,6-bis(chloroformyl)isophthalate

CAS
94088-04-7
Catalog Number
ACM94088047
Category
Other Products
Molecular Formula
C22H20Cl2O10

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What is the molecular formula of the compound referenced?

The molecular formula of the compound is C22H20Cl2O10.

What is the molecular weight of the compound?

The molecular weight of the compound is 515.3 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is bis[2-(2-methylprop-2-enoyloxy)ethyl] 4,6-dicarbonochloridoylbenzene-1,3-dicarboxylate.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C22H20Cl2O10/c1-11(2)19(27)31-5-7-33-21(29)15-10-16(14(18(24)26)9-13(15)17(23)25)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3.

What is the InChIKey of the compound?

The InChIKey of the compound is HHADMXONRFLIKP-UHFFFAOYSA-N.

How many hydrogen bond acceptor count does the compound have?

The compound has 10 hydrogen bond acceptor count.

What is the rotatable bond count of the compound?

The compound has 16 rotatable bond count.

What is the exact mass of the compound?

The exact mass of the compound is 514.0433522 g/mol.

What is the topological polar surface area of the compound?

The topological polar surface area of the compound is 139 ㎡.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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