ChemSpider 2D Image | (2Z)-2-(2-Ethoxy-2-oxoethylidene)succinic acid | C8H10O6

(2Z)-2-(2-Ethoxy-2-oxoethylidene)succinic acid

  • Molecular FormulaC8H10O6
  • Average mass202.161 Da
  • Monoisotopic mass202.047745 Da
  • ChemSpider ID30777482
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1Z)-1-ethyl ester1-propene-1,2,3-tricarboxylic acid
(2Z)-2-(2-Ethoxy-2-oxoethyliden)bernsteinsäure [German] [ACD/IUPAC Name]
(2Z)-2-(2-Ethoxy-2-oxoethylidene)succinic acid [ACD/IUPAC Name]
1135255-56-9 [RN]
1-Propene-1,2,3-tricarboxylic acid, 1-ethyl ester, (1Z)- [ACD/Index Name]
Acide (2Z)-2-(2-éthoxy-2-oxoéthylidène)succinique [French] [ACD/IUPAC Name]
(2Z)-2-(2-ethoxy-2-oxoethylidene)butanedioic acid
1321-30-8 [RN]
Ethyl aconitate
Ethyl aconitate (mixed esters)
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

7N1954CLQ0 [DBID]
UNII:7N1954CLQ0 [DBID]
UNII-7N1954CLQ0 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 434.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.7±6.0 kJ/mol
Flash Point: 178.7±22.2 °C
Index of Refraction: 1.510
Molar Refractivity: 43.9±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.92
ACD/LogD (pH 5.5): -3.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.21
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 101 Å2
Polarizability: 17.4±0.5 10-24cm3
Surface Tension: 56.4±3.0 dyne/cm
Molar Volume: 146.7±3.0 cm3

Click to predict properties on the Chemicalize site






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