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

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
17013-01-3
SMILES
[O-]C(=O)/C=C/C([O-])=O.[Na+].[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.

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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

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.

Fumaric acid110-17-8Free acid Maleic acid110-16-7Free acid, stereo not defined Poly(maleic acid)26099-09-2Free acid, stereo not defined Disodium maleate371-47-1Stereo not defined Iron(II) fumarate141-01-5Salt Enalapril maleate76095-16-4Salt, diastereomer Pyrilamine maleate59-33-6Salt, stereo not defined Chlorpheniramine maleate113-92-8Salt, stereo not defined Timolol maleate26921-17-5Salt, diastereomer Sodium fumarate5873-57-4Salt Clemastine fumarate14976-57-9Salt Calcium fumarate19855-56-2Salt

Similar compounds

Sodium sorbate7757-81-561 % similar Sodium acrylate7446-81-357 % similar Sodium polyacrylate9003-04-757 % similar Sodium cinnamate538-42-152 % similar Sodium stearyl fumarate4070-80-844 % similar Sodium bicarbonate144-55-843 % similar Dibutyltin maleate78-04-643 % similar Potassium sorbate24634-61-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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