Mono(3-carboxypropyl) Phthalate-d4

Analyte Name

Mono(3-carboxypropyl) Phthalate-d4

CAS Number

1346600-69-8

Molecular Formula

C12D4H8O6

Molecular Weight

256.24

Accurate Mass

256.0885

SMILES

[2H]c1c([2H])c([2H])c(C(=O)OCCCC(=O)O)c(C(=O)O)c1[2H]

InChI

InChI=1S/C12H12O6/c13-10(14)6-3-7-18-12(17)9-5-2-1-4-8(9)11(15)16/h1-2,4-5H,3,6-7H2,(H,13,14)(H,15,16)/i1D,2D,4D,5D

IUPAC

2-(3-carboxypropoxycarbonyl)-3,4,5,6-tetradeuterio-benzoic acid

Unlabelled CAS Number

66851-46-5

SIL Type

Deuterium

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite; Stable Isotope Labelled

Product Format

Neat

Purity

>95% (HPLC)