ChemSpider 2D Image | (2S)-2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)succinic acid | C8H7NO6

(2S)-2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)succinic acid

  • Molecular FormulaC8H7NO6
  • Average mass213.144 Da
  • Monoisotopic mass213.027344 Da
  • ChemSpider ID24207564

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)bernsteinsäure [German] [ACD/IUPAC Name]
(2S)-2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)succinic acid [ACD/IUPAC Name]
Acide (2S)-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-(2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, (2S)- [ACD/Index Name]
(S)-2-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)succinic acid
346670-61-9 [RN]
Butanedioic acid, (2,5-dihydro-2,5-dioxo-1H-pyrrol-1-yl)-, (2S)- (9CI)

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.7±0.1 g/cm3
Boiling Point: 419.6±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 73.9±6.0 kJ/mol
Flash Point: 207.6±25.9 °C
Index of Refraction: 1.619
Molar Refractivity: 43.5±0.3 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.25
ACD/LogD (pH 5.5): -3.69
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.13
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 112 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 95.5±3.0 dyne/cm
Molar Volume: 123.9±3.0 cm3

Click to predict properties on the Chemicalize site


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