chempirical

Sodium fumarate

C4H3NaO4CAS 5873-57-4138.05 g/mol

Open in Covalent MOL file
O−OOOHNa+
AlkeneCarboxylic acid

Properties

Molecular formula
C4H3NaO4
Molar mass
138.05 g/mol
Exact mass
137.9929 Da
logP
-0.67Crippen estimate
Polar surface area
74.6 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
5873-57-4
SMILES
[O-]C(=O)/C=C/C(=O)O.[Na+]
InChIKey
RYDFXSRVZBYYJV-TYYBGVCCSA-N
InChI
InChI=1S/C4H4O4.Na/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);/b2-1+;

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

Names and synonyms

7 names
  • 2-Butenedioic acid (2E)-, sodium salt (1:1)
  • Fumaric acid, monosodium salt
  • 2-Butenedioic acid (E)-, monosodium salt
  • 2-Butenedioic acid (2E)-, monosodium salt
  • Monosodium fumarate
  • Sodium hydrogen fumarate
  • Mafusol

Work with Sodium fumarate

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 fumarate17013-01-368 % similar Disodium maleate371-47-168 % similar Maleic acid110-16-755 % similar Fumaric acid110-17-855 % similar Poly(maleic acid)26099-09-255 % similar Iron(II) fumarate141-01-548 % similar Calcium fumarate19855-56-248 % similar Sodium sorbate7757-81-547 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Sodium fumarate7704-73-6

Elsewhere

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