CAS 63277-17-8|CAS 40876-98-0|Diethyl oxosuccinate sodium salt|Diethyl oxalacetate|sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate|Diethyl oxaloacetate|Ethyl sodium oxaloacetate|Diethyl oxalacetate so...

General Information

Structure

Molecular Formula

C₈H₁₁NaO₅

Molecular Mass

210.15971

Exact Mass

210.05041773

Charge

InChI

InChI=1S/C8H12O5.Na/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h5,9H,3-4H2,1-2H3;/q;+1/p-1

InChIKey

UJZUICGIJODKOS-UHFFFAOYSA-M

Canonic Smiles

CCOC(=O)/C=C(/C(=O)OCC)\[O-].[Na+]

Isomeric Smiles

[Na+].CCOC(=O)/C=C(\[O-])/C(=O)OCC

Calculated Properties

JChem

Acid pKa

11.404943

H Acceptors

H Donor

LogD (pH = 5.5)

0.9124981

LogD (pH = 7.4)

0.91245574

Log P

0.91249865

Molar Refractivity

56.1601

Polarizability

17.219181

Polar Surface Area

75.66

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Diethyl oxosuccinate sodium saltDiethyl oxalacetateDiethyl oxaloacetateEthyl sodium oxaloacetateDiethyl oxalacetate sodium saltOXALACETIC ACID DIETHYL ESTER SODIUM SALT PRACTICAL GRADESodium diethyl oxalacetate草酰乙酸二乙酯钠草乙酸二乙酯钠盐丁酮二酸二乙酯钠盐Diethyl oxalacetate sodium saltOxalacetic acid diethyl ester 钠盐Oxalacetic acid diethyl ester sodium salt草酰乙酸二乙酯二乙基草酰乙酸钠草乙酸二乙酯钠盐Sodium diethyl oxaloacetate草酰乙酸二乙酯钠盐草醋酸二乙酯钠盐Sodium-1,4-diethoxy-1,4-dioxobut-2-en-2-olate草酰乙酸乙酯钠盐SodiuM 1,4-diethoxy-1,4-dioxobut-2-en-2-olate

IUPAC name

sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate sodium (2Z)-1,4-diethoxy-1,4-dioxobut-2-en-2-olate

IUPAC Traditional name

potassium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate sodium (2Z)-1,4-diethoxy-1,4-dioxobut-2-en-2-olate

Names and Identifiers

Registration numbers

CAS Number

63277-17-840876-98-0

EC Number

255-122-9

PubChem SID

1620887472488630624850057