Sodium cyanoacetate

C3H2NNaO2CAS 1071-36-9107.04 g/mol

Open in Covalent MOL file
NO−ONa+
Carboxylic acidNitrile

Properties

Molecular formula
C3H2NNaO2
Molar mass
107.04 g/mol
Exact mass
106.9983 Da
logP
-0.40Crippen estimate
Polar surface area
61.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1071-36-9
SMILES
N#CCC([O-])=O.[Na+]
InChI

The InChI we hold for this record describes the parent acid and the metal separately rather than the salt above, so it is not shown here.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

3 names
  • Acetic acid, 2-cyano-, sodium salt (1:1)
  • Acetic acid, cyano-, sodium salt
  • 2-Cyanoacetic acid sodium salt

Work with Sodium cyanoacetate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cyanoacetic acid372-09-8Free acid

Similar compounds

Disodium malonate141-95-750 % similar Disodium succinate150-90-350 % similar Trisodium nitrilotriacetate5064-31-350 % similar Tetrasodium EDTA64-02-846 % similar Pentasodium pentetate140-01-245 % similar Trisodium nitrilotriacetate monohydrate18662-53-845 % similar Sodium bromoacetate1068-52-644 % similar Sodium propionate137-40-644 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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