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...

基本信息

化学结构

分子式

C₈H₁₁NaO₅

分子量

210.15971

精确质量

210.05041773

电荷

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

计算属性

JChem

Acid pKa

11.404943

质子受体

质子供体

LogD (pH = 5.5)

0.9124981

LogD (pH = 7.4)

0.91245574

Log P

0.91249865

摩尔折射率

56.1601

极化性

17.219181

极化表面积

75.66

可自由旋转的化学键

里宾斯基五规则

true

数据来源

名称和标识

别名

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标准名

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

IUPAC传统名

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

名称和标识

数据登录号

CAS号

63277-17-840876-98-0

EC号

255-122-9

PubChem SID

1620887472488630624850057