Alpha-Ketobutyric acid, sodium salt (Methyl-13C; 3,3-D2)

Catalog Number ACM1189500693
CAS 1189500-69-3
Synonyms Sodium:3,3-dideuterio-2-oxobutanoate; Alpha-Ketobutyric acid-13C,D2 sodium Salt
IUPAC Name sodium;3,3-dideuterio-2-oxo(4-13C)butanoate
Molecular Weight 127.08
Molecular Formula C4H3D2NaO3
Canonical SMILES [2H]C([2H])([13CH3])C(=O)C(=O)[O-].[Na+]
InChI InChI=1S/C4H6O3.Na/c1-2-3(5)4(6)7;/h2H2,1H3,(H,6,7);/q;+1/p-1/i1+1,2D2;
InChI Key SUAMAHKUSIHRMR-ASMGDNRJSA-M
Melting Point 210 °C (410 °F)
Appearance White to beige powder
Chemical Formula *CH3CD2COCOONa
Chemical Purity 98%
Isomeric SMILES [2H]C([2H])([13CH3])C(=O)C(=O)[O-].[Na+]
Isotopic Enrichment 99 atom % 13C; 98 atom % D
Stability Two years after receipt. Re-QC after 2 years.
Unlabeled CAS 2013-26-5
Unlabeled Synonyms 2-Oxybutanoic acidsodium salt; Sodium alpha-ketobutyrate; 2-Oxybutyric acidsodium salt
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