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) |
Purity |
98% |
Appearance |
White to beige powder |
Chemical Formula |
*CH3CD2COCOONa |
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 |