Disodium propanedioate hydrate

C₃H₄Na₂O₅CAS 26522-85-0166.04 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₃H₄Na₂O₅
Molar mass: 166.04 g/mol
Exact mass: 165.9854 Da
logP: -9.94Crippen estimate
Polar surface area: 111.8 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Identifiers

CAS number

26522-85-0

SMILES

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

InChIKey

INIYRMMIDZWSKY-UHFFFAOYSA-L

InChI

InChI=1S/C3H4O4.2Na.H2O/c4-2(5)1-3(6)7;;;/h1H2,(H,4,5)(H,6,7);;;1H2/q;2*+1;/p-2

Weigh it out

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

Names and synonyms

1 names

Malonic acid disodium salt monohydrate

Work with Disodium propanedioate hydrate

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.

Disodium malonate141-95-7Anhydrous Malonic acid141-82-2Free acid Thallous malonate2757-18-8Salt

Similar compounds

Sodium succinate hexahydrate6106-21-471 % similar Sodium iminodiacetate dibasic monohydrate17593-73-663 % similar Trisodium nitrilotriacetate monohydrate18662-53-863 % similar Tetrasodium ethylenediaminetetraacetate dihydrate10378-23-158 % similar Ethylenediaminetetraacetic acid tetrasodium salt tetrahydrate13235-36-458 % similar Glycine, N,N′-1,2-ethanediylbis[N-(carboxymethyl)-, tetrasodium salt, trihydrate67401-50-758 % similar Disodium succinate150-90-357 % similar Calciate(2-), [[N,N′-1,2-ethanediylbis[N-[(carboxy-κO)methyl]glycinato-κN,κO]](4-)]-, sodium, hydrate (1:2:?), (OC-6-21)-23411-34-952 % similar

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

Elsewhere

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