chempirical

Sodium sesquicarbonate

C2HNa3O6CAS 533-96-0189.99 g/mol

Open in Covalent MOL file
O−O−OO−OOHNa+Na+Na+
Carbonate

Properties

Molecular formula
C2HNa3O6
Molar mass
189.99 g/mol
Exact mass
189.9466 Da
logP
-0.16Crippen estimate
Polar surface area
57.5 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
0

Hazards

Not classified as hazardous under GHS by 54 ECHA notifiers. Aggregated from 54 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
533-96-0
SMILES
[O-]C([O-])=O.[O-]C(=O)O.[Na+].[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.

Weigh it out

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

Names and synonyms

7 names
  • Carbonic acid, sodium salt (2:3)
  • Snowflake crystals
  • Magadi soda
  • SQ 810
  • Sesqui TM
  • SQ 810 Bulk
  • Solvay T 200

Work with Sodium sesquicarbonate

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.

Sodium bicarbonate144-55-8Salt Sodium carbonate497-19-8Salt Potassium carbonate584-08-7Salt Sodium percarbonate15630-89-4Salt Calcium carbonate471-34-1Salt Magnesium carbonate546-93-0Salt Lithium carbonate554-13-2Salt White lead1319-46-6Salt Basic copper carbonate12069-69-1Salt Hydrotalcite (mg6(CO3)[al(OH)6]2(OH)4.4H2O)12304-65-3Salt Potassium bicarbonate298-14-6Salt Strontium carbonate1633-05-2Salt

Similar compounds

Sodium fumarate5873-57-437 % similar Sodium fumarate7704-73-637 % similar Disodium fumarate17013-01-336 % similar Disodium maleate371-47-136 % similar 2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrahydroxy-, sodium salt (1:2)1887-02-136 % similar Sodium oxalate62-76-035 % similar Disodium nitrilotriacetate15467-20-633 % similar Sodium diacetate126-96-532 % similar

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

Elsewhere

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