chempirical

Sodium acetate trihydrate

C2H9NaO5CAS 6131-90-4136.08 g/mol

Open in Covalent MOL file
O−OH2OH2OH2ONa+
Carboxylic acid

Properties

Molecular formula
C2H9NaO5
Molar mass
136.08 g/mol
Exact mass
136.0348 Da
Density
1.45 g/mL
Melting point
57.9 °C
logP
-2.76Crippen estimate
Polar surface area
131.8 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
6131-90-4
SMILES
CC([O-])=O.O.O.O.[Na+]
InChIKey
UCRNFUVTKPHVJL-UHFFFAOYSA-N
InChI
InChI=1S/C2H4O2.Na.3H2O/c1-2(3)4;;;;/h1H3,(H,3,4);;3*1H2

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Names and synonyms

2 names
  • Acetic acid, sodium salt, hydrate (1:1:3)
  • Acetic acid, sodium salt, trihydrate

Work with Sodium acetate trihydrate

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 diacetate126-96-583 % similar Sodium acetate127-09-383 % similar Erbium triacetate tetrahydrate15280-57-671 % similar Magnesium acetate tetrahydrate16674-78-571 % similar Zinc acetate dihydrate5970-45-671 % similar Nickel acetate tetrahydrate6018-89-971 % similar Copper diacetate monohydrate6046-93-171 % similar Lead diacetate trihydrate6080-56-471 % similar

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

Elsewhere

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