Mono[2-(carboxymethyl)hexyl] phthalate
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![Mono[2-(carboxymethyl)hexyl] phthalate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/1039d20866354295a97868fba203b182.png "Mono[2-(carboxymethyl)hexyl] phthalate")
Mono[2-(carboxymethyl)hexyl] phthalate
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CAS No:
82975-93-7
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Formula:
C16H20O6
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Chemical Name:
Mono[2-(carboxymethyl)hexyl] phthalate
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Synonyms:
1,2-Benzenedicarboxylic acid,1-[2-(carboxymethyl)hexyl] ester;1,2-Benzenedicarboxylic acid,mono[2-(carboxymethyl)hexyl] ester;Mono[2-(carboxymethyl)hexyl] phthalate
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CAS No:
Description
Mono[2-(carboxymethyl)hexyl] 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 3-(hydroxymethyl)heptanoic acid. It has a role as a human urinary metabolite and a human xenobiotic metabolite. It is a phthalic acid monoester and a dicarboxylic acid.
Computed Properties
Molecular Weight:308.33
XLogP3:3
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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Monononyl phthalate
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Monoisooctyl phthalate Formula
30849-48-0
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Monoisopropyl phthalate Formula
35118-50-4
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Calcium phthalate Formula
5793-85-1
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Mono-n-octyl phthalate Structure
5393-19-1
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Monoethyl phthalate Structure
2306-33-4
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What is Didodecyl phthalate
2432-90-8
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What is Monocyclohexyl phthalate
7517-36-4
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