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Mesoxalate sodium (monohydrate)

CAT: 0127-BUP18533-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP18533-01Size:500 mg
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CAS Number
31635-99-1
Synonyms
Sodium mesoxalate monohydrate
Purity
=98%
Smiles
[Na+].[Na+].OC(O)(C([O-])=O)C([O-])=O

Chemical Information

Sodium mesoxalate monohydrate

See also: Disodium dihydroxymalonate (annotation moved to).

CAS Number31635-99-1
PubChem CID6097181
IUPAC Namedisodium;2,2-dihydroxypropanedioate
Molecular FormulaC3H2Na2O6
Molecular Weight180.02
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity119
SMILES
C(=O)(C(C(=O)[O-])(O)O)[O-].[Na+].[Na+]
InChI
InChI=1S/C3H4O6.2Na/c4-1(5)3(8,9)2(6)7;;/h8-9H,(H,4,5)(H,6,7);;/q;2*+1/p-2
InChIKey
HMBGDJCPFGQLIO-UHFFFAOYSA-L
Chemical Structure
2D Structure
2D structure of Sodium mesoxalate monohydrate
CAS: 31635-99-1
CID: 6097181
Formula: C3H2Na2O6
MW: 180.02
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight180.02
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass179.96467634
Monoisotopic Mass179.96467634
Topological Polar Surface Area121 Ų
Heavy Atom Count11
Formal Charge0
Complexity119
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes