Products 66851-46-5

CAS 66851-46-5 appears in our catalog under these names: Mono(3-carboxypropyl) Phthalate, >95% (HPLC), Mono(3-carboxypropyl) phthalate, Mono(3-carboxypropyl) phthalate, Concentration: 100 µg/ml Solvent: Cyclohexane. Offered by: TRC, Biosynth, HPC Standards, MedChemExpress. Available pack sizes: 100mg, 50mg, 0,025g, 0,01g, 0,05g, 0,1g, 0,25g, 1x1ml.

Structural formula: {0} (CAS {1})

Mono(3-carboxypropyl) phthalate is a phthalic acid monoester obtained by formal condensation of one of the carboxy groups of phthalic acid with the hydroxy group of 4-hydroxybutyric acid. It has a role as a human xenobiotic metabolite and a human urinary metabolite. It is a phthalic acid monoester and a dicarboxylic acid. It is functionally related to a 4-hydroxybutyric acid.

Source: ChEBI

Identity
Molecular formulaC12H12O6
Molecular weight252.22 g/mol
IUPAC name2-(3-carboxypropoxycarbonyl)benzoic acid
InChIKeyIYTPMLIWBZMBSL-UHFFFAOYSA-N
SMILESC1=CC=C(C(=C1)C(=O)O)C(=O)OCCCC(=O)O

Computed by PubChem (NCBI)