3-Cyano-2-oxo-propionic acid ethyl ester sodium salt
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Basic information
- Standard SMILES
CCOC(=O)C(=O)CC#N.[Na]- InChIKey
BTPBRXWVRSJMGX-UHFFFAOYSA-N- Molecular formula
- C6H7NNaO3
- Average molar mass
- 164.11 g/mol
- Monoisotopic mass
- 164.03236237
Names & identifiers
- Preferred name
- 3-Cyano-2-oxo-propionic acid ethyl ester sodium salt
Names & synonyms
sodium ethyl cyanopyruvateSCHEMBL30134430BTPBRXWVRSJMGX-UHFFFAOYSA-NAKOS022186330SB37551
Database identifiers
- PubChem CID
- 82017485
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 188
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Related reactions
1 records
Compound notes
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