2-acetyloxyethyl(trimethyl)azanium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
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2-acetyloxyethyl(trimethyl)azanium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
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CAS No:
5450-58-8
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Formula:
C27H54NO9S+
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Chemical Name:
2-acetyloxyethyl(trimethyl)azanium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
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Synonyms:
NSC9989;NSC-9989;5450-58-8;Choline mixture with docusic acid;NSC 9989;2-acetoxyethyl(trimethyl)ammonium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid;Choline acetate (ester), salt with 1,4-bis(2-ethylhexyl) sulfosuccinate (1:1);1,4-Bis((2-ethylhexyl)oxy)-1,4-dioxo-2-butanesulfonic acid compound with 2-(trimethyl-lambda~5~-azanyl)ethyl acetate (1:1)
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CAS No:
2-acetyloxyethyl(trimethyl)azanium;1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid Basic Attributes
568.8 g/mol
568.35192847 g/mol
Computed Properties
Molecular Weight:568.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:22
Exact Mass:568.35192847
Monoisotopic Mass:568.35192847
Topological Polar Surface Area:142
Heavy Atom Count:38
Formal Charge:1
Complexity:655
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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