chempirical

Oxalacetic acid diethyl ester sodium salt

C8H11NaO5CAS 40876-98-0210.16 g/mol

Open in Covalent MOL file
OOCH−OOONa+
EsterKetone

Properties

Molecular formula
C8H11NaO5
Molar mass
210.16 g/mol
Exact mass
210.0504 Da
logP
-3.11Crippen estimate
Polar surface area
69.7 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
5

Identifiers

CAS number
40876-98-0
SMILES
CCOC(=O)[CH-]C(=O)C(=O)OCC.[Na+]
InChIKey
JPTKZRPOIUYFTM-UHFFFAOYSA-N
InChI
InChI=1S/C8H11O5.Na/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h5H,3-4H2,1-2H3;/q-1;+1

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Names and synonyms

14 names · show all
  • Butanedioic acid, 2-oxo-, 1,4-diethyl ester, ion(1-), sodium (1:1)
  • Butanedioic acid, oxo-, diethyl ester, ion(1-), sodium
  • Diethyl sodiooxalacetate
  • Diethyl sodium oxalacetate
  • Diethyl oxalacetate sodium salt
  • Diethyl 2-hydroxy-2-butenedioate sodium salt
  • Diethyl oxobutanedioate sodium salt
  • Sodium diethyl oxaloacetate
  • Sodium diethyl oxobutanedioate
  • Sodium diethyl oxalacetate
  • 2-(Oxo)succinic acid diethyl ester monosodium salt
  • Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate
  • Diethyl oxaloacetate sodium salt
  • 1,4-Diethoxy-1,3,4-trioxobutan-2-ide sodium salt

Work with Oxalacetic acid diethyl ester sodium salt

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

Copper bis(ethyl acetylacetate)14284-06-146 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-445 % similar 2-Propenoic acid, 3-cyano-2-hydroxy-, ethyl ester, sodium salt (1:1), (2E)-627076-29-343 % similar Ethyl 3,3,3-trifluoro-2-oxopropanoate13081-18-041 % similar Ethyl 2-oxobutanoate15933-07-040 % similar Ethyl oxalyl chloride4755-77-540 % similar Ethyl oxamate617-36-740 % similar 1,3-Diethyl 2-(1-methylethylidene)propanedioate6802-75-140 % similar

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

Same formula

Oxalacetic acid diethyl ester sodium salt52980-17-3

Elsewhere

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