Mono(2-ethyl-5-carboxypentyl) phthalate
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Mono(2-ethyl-5-carboxypentyl) phthalate
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CAS No:
40809-41-4
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Formula:
C16H20O6
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Chemical Name:
Mono(2-ethyl-5-carboxypentyl) phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-(5-carboxy-2-ethylpentyl) ester;1,2-Benzenedicarboxylic acid,mono(5-carboxy-2-ethylpentyl) ester;Mono(5-carboxy-2-ethylpentyl) phthalate;Mono(2-ethyl-5-carboxypentyl) phthalate
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CAS No:
Description
Mono(5-carboxy-2-ethylpentyl) phthalate is a phthalic acid monoester resulting from the formal condensation of one of the carboxy gruops of phthalic acid with the hydroxy group of 5-(hydroxymethyl)heptanoic acid. It is a urinary metabolite of diethylhexyl phthalate. It has a role as a xenobiotic.
Computed Properties
Molecular Weight:308.33
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:10
Exact Mass:308.12598835
Monoisotopic Mass:308.12598835
Topological Polar Surface Area:101
Heavy Atom Count:22
Complexity:392
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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