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Citric acid (2,2,4,4-D4)

Catalog Number ACM147664833-1
CAS 147664-83-3
Structure Structure
Synonyms Citric acid-2,2,4,4-d4; Citric-2,2,4,4-d4 acid
IUPAC Name 1,1,3,3-tetradeuterio-2-hydroxypropane-1,2,3-tricarboxylic acid
Molecular Weight 196.15
Molecular Formula C6H4D4O7
InChI InChI=1S/C6H8O7/c7-3(8)1-6(13,5(11)12)2-4(9)10/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/i1D2,2D2
InChI Key KRKNYBCHXYNGOX-LNLMKGTHSA-N
Melting Point 153-159 °C (307-318 °F) (lit.)
Purity 98%
Solubility Water: 383 g/L at 25°C (77 °F)
Appearance White crystalline solid
Chemical Formula HOC(COOH)(CD2COOH)2
Isomeric SMILES [2H]C([2H])(C(=O)O)C(C(=O)O)(C([2H])([2H])C(=O)O)O
Isotopic Enrichment 98 atom % D
pH 1.8 at ca.50 g/L at °C (77 °F)
Stability Stable if stored under recommended conditions.
Unlabeled CAS 77-92-9
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