CAS
94086-90-5 Purity
96%
94086-90-5 Purity
96%
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Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate
CAS
94086-95-0
Catalog Number
ACM94086950
Category
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What is the molecular formula of Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
The molecular formula is C11H23NO6S.
When was Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate created and modified?
It was created on 2009-08-20 and modified on 2023-12-30.
What is the IUPAC name of Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
The IUPAC name is ethyl-dimethyl-[2-(2-methylprop-2-enoyloxy)propyl]azanium;hydrogen sulfate.
What is the InChI of Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
The InChI is InChI=1S/C11H22NO2.H2O4S/c1-7-12(5,6)8-10(4)14-11(13)9(2)3;1-5(2,3)4/h10H,2,7-8H2,1,3-6H3;(H2,1,2,3,4)/q+1;/p-1.
What is the Canonical SMILES of Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
The Canonical SMILES is CC[N+](C)(C)CC(C)OC(=O)C(=C)C.OS(=O)(=O)[O-].
What is the molecular weight of Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
The molecular weight is 297.37 g/mol.
How many hydrogen bond donor counts does Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
The topological polar surface area is 112 Ų.
How many rotatable bond counts does Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate have?
It has 6 rotatable bond counts.
Is the compound canonicalized for Methyl 2-[(2-methyl-1-oxoallyl)oxy]propyltrimethylammonium sulphate?
Yes, the compound is canonicalized.
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