Registration Dossier
Registration Dossier
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EC number: 627-104-4 | CAS number: 53544-13-1
Reference substances
- IUPAC name:
- sodium 1-cyano-3-ethoxy-2,3-dioxopropan-1-ide
Inventory
Synonyms
- Names:
- Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (9CI) Pyruvic acid, cyano-, ethyl ester, sodium deriv. (7CI) 1-Cyano-3-ethoxy-3-oxo-1-propen-2-ol sodium salt 3-Cyanopyroracemic acid ethyl ester sodium salt Ethyl ß-cyanopyruvate sodium salt
- Identifier:
- other: Molecular formula
- C6H6NNaO3
- Identifier:
- other: InChl
- InChI=1/C6H6NO3.Na/c1-2-10-6(9)5(8)3-4-7;/h3H,2H2,1H3;/q-1;+1
- Propanoic acid, 3-cyano-2-oxo-, ethyl ester, ion(1-), sodium (1:1)
Molecular and structural information
- Molecular formula:
- C6 H6 N O3 . Na
- Molecular weight:
- ca. 163
- SMILES notation:
- [Na+].O=C([CH-]C#N)C(=O)OCC
- InChl:
- InChI=1/C6H7NO3.Na/c1-2-10-6(9)5(8)3-4-7;/h3,8H,2H2,1H3;/q;+1/p-1/b5-3-
- Structural formula:
Related substances
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