chempirical

Disodium fumarate

C4H2Na2O4CAS 17013-01-3160.04 g/mol

Open in Covalent MOL file
O−OO−ONa+Na+
AlkeneCarboxylic acid

Properties

Molecular formula
C4H2Na2O4
Molar mass
160.04 g/mol
Exact mass
159.9748 Da
logP
-1.05Crippen 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
17013-01-3
SMILES
[O-]C(=O)/C=C/C([O-])=O.[Na+].[Na+]
InChIKey
VXXVUHAXJHEYFH-SEPHDYHBSA-N
InChI
InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/b2-1+;;

Weigh it out

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

Names and synonyms

4 names
  • 2-Butenedioic acid (2E)-, sodium salt (1:2)
  • Fumaric acid, disodium salt
  • 2-Butenedioic acid (E)-, disodium salt
  • 2-Butenedioic acid (2E)-, disodium salt

Work with Disodium 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

Sodium fumarate5873-57-468 % similar Sodium fumarate7704-73-668 % similar Iron(II) fumarate141-01-567 % similar Calcium fumarate19855-56-267 % similar Sodium sorbate7757-81-561 % similar Sodium acrylate7446-81-357 % similar Sodium polyacrylate9003-04-757 % similar Sodium cinnamate538-42-152 % similar

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

Same formula

Disodium maleate371-47-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook