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mono(3-carboxypropyl) phthalate

Go to external page http://purl.obolibrary.org/obo/CHEBI_132872

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.

Term info

Label

mono(3-carboxypropyl) phthalate

Synonyms
  • 2-[(3-carboxypropoxy)carbonyl]benzoic acid
database cross reference
Subsets

3_STAR

IUPAC NAME
2-[(3-carboxypropoxy)carbonyl]benzoic acid [ IUPAC ]

charge

0

formula

C12H12O6

has obo namespace

chebi_ontology

has related synonym

mono-(3-carboxypropyl) phthalate, mono-3-carboxypropyl phthalate

id

CHEBI:132872

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)

inchikey

IYTPMLIWBZMBSL-UHFFFAOYSA-N

mass

252.221

monoisotopicmass

252.06339

smiles

C(C1=C(C=CC=C1)C(=O)OCCCC(=O)O)(=O)O