chempirical

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

Identifiers

CAS number
1071-36-9
SMILES
N#CCC([O-])=O.[Na+]
InChIKey
NLBFDFIZQKPFKP-UHFFFAOYSA-N
InChI
InChI=1S/C3H3NO2.Na/c4-2-1-3(5)6;/h1H2,(H,5,6);

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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

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

PubChem CAS Common Chemistry NIST WebBook