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Sodium Fumarate

CAT: 1489-D8980-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:1489-D8980-01Size:25 g
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CAS Number
17013-01-3

Chemical Information

Disodium Fumarate

Disodium fumarate is an organic sodium salt resulting from the replacement of the protons from the carboxy groups of fumaric acid by sodium ions. It has a role as a food acidity regulator. It contains a fumarate(2-).

CAS Number17013-01-3
PubChem CID6364607
IUPAC Namedisodium;(E)-but-2-enedioate
Molecular FormulaC4H2Na2O4
Molecular Weight160.04
Topological Polar Surface Area80.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity108
SMILES
C(=C/C(=O)[O-])\C(=O)[O-].[Na+].[Na+]
InChI
InChI=1S/C4H4O4.2Na/c5-3(6)1-2-4(7)8;;/h1-2H,(H,5,6)(H,7,8);;/q;2*+1/p-2/b2-1+;;
InChIKey
MSJMDZAOKORVFC-SEPHDYHBSA-L
Chemical Structure
2D Structure
2D structure of Disodium Fumarate
CAS: 17013-01-3
CID: 6364607
Formula: C4H2Na2O4
MW: 160.04
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight160.04
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass159.97484710
Monoisotopic Mass159.97484710
Topological Polar Surface Area80.3 Ų
Heavy Atom Count10
Formal Charge0
Complexity108
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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