Oxalacetic acid diethyl ester sodium salt

C₈H₁₁NaO₅CAS 52980-17-3210.16 g/mol

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Ester Ketone

Properties

Molecular formula: C₈H₁₁NaO₅
Molar mass: 210.16 g/mol
Exact mass: 210.0504 Da
logP: -3.11Crippen estimate
Polar surface area: 69.7 Å²
H-bond donors / acceptors: 0 / 5
Rotatable bonds: 5

Hazards

Danger

H302 Harmful if swallowed97.5% of notifiers
H311 Toxic in contact with skin45.7% of notifiers
H315 Causes skin irritation51.9% of notifiers
H319 Causes serious eye irritation54.3% of notifiers
H412 Harmful to aquatic life with long lasting effects45.7% of notifiers

Aggregated from 81 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P262, P264, P264+P265, P270, P273, P280, P301+P317, P302+P352, P305+P351+P338, P316, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number

52980-17-3

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

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.

Oxalacetic acid diethyl ester sodium salt40876-98-0

Similar compounds

Diethyl oxalate95-92-148 % similar Copper bis(ethyl acetylacetate)14284-06-146 % similar 1,1,2,2-Tetraethyl 1,1,2,2-ethenetetracarboxylate6174-95-445 % similar Diethyl oxomalonate609-09-644 % similar 2-Propenoic acid, 3-cyano-2-hydroxy-, ethyl ester, sodium salt (1:1), (2E)-627076-29-343 % similar Diethyl methylidenemalonate3377-20-641 % similar Ethyl pyruvate617-35-641 % similar Ethyl 3,3,3-trifluoro-2-oxopropanoate13081-18-041 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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