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Mono[2-(carboxymethyl)hexyl] Phthalate

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For Research Use Only | Not For Clinical Use
CATAPS82975937
CAS82975-93-7
Structure
SynonymsDEHP Metabolite IV
IUPAC Name2-[2-(carboxymethyl)hexoxycarbonyl]benzoic acid
Molecular Weight308.33
Molecular FormulaC16H20O6
Canonical SMILESCCCCC(COC(=O)c1ccccc1C(=O)O)CC(=O)O
InChIInChI=1S/C16H20O6/c1-2-3-6-11(9-14(17)18)10-22-16(21)13-8-5-4-7-12(13)15(19)20/h4-5,7-8,11H,2-3,6,9-10H2,1H3,(H,17,18)(H,19,20)
Accurate Mass308.126
FormatNeat
SubcategoryPhthalates
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