Mono(3-carboxypropyl) Phthalate

Analyte Name

Mono-3-carboxypropyl phthalate

CAS Number

66851-46-5

Molecular Formula

C12 H12 O6

Molecular Weight

252.22

Accurate Mass

252.0634

SMILES

OC(=O)CCCOC(=O)c1ccccc1C(=O)O

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)

IUPAC

2-(3-carboxypropoxycarbonyl)benzoic acid

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Type

Metabolite

Product Format

Neat

Purity

>95% (HPLC)