Sodium cacodylate trihydrate

C₂H₁₂AsNaO₅CAS 6131-99-3214.02 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂H₁₂AsNaO₅
Molar mass: 214.02 g/mol
Exact mass: 213.9798 Da
logP: -2.74Crippen estimate
Polar surface area: 131.8 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

6131-99-3

SMILES

C[As](C)([O-])=O.O.O.O.[Na+]

InChIKey

JDOADXOVSJKFDF-UHFFFAOYSA-N

InChI

InChI=1S/C2H7AsO2.Na.3H2O/c1-3(2,4)5;;;;/h1-2H3,(H,4,5);;3*1H2

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Names and synonyms

1 names

Arsinic acid, dimethyl-, sodium salt, trihydrate

Work with Sodium cacodylate 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 cacodylate124-65-283 % similar Sodium arsenate heptahydrate10048-95-046 % similar Disodium methyl arsonate144-21-845 % similar Monosodium methyl arsonate2163-80-638 % similar Sodium acetate trihydrate6131-90-433 % similar Disodium hydrogen arsenate7778-43-033 % similar Sodium hypophosphite monohydrate10039-56-232 % similar Trisodium phosphate dodecahydrate10101-89-032 % similar

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

Elsewhere

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