ChemSpider 2D Image | (3,4-Dihydroxy-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid | C6H5NO6

(3,4-Dihydroxy-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid

  • Molecular FormulaC6H5NO6
  • Average mass187.107 Da
  • Monoisotopic mass187.011688 Da
  • ChemSpider ID60997745

More details:

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

(3,4-Dihydroxy-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acetic acid [ACD/IUPAC Name]
(3,4-Dihydroxy-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)essigsäure [German] [ACD/IUPAC Name]
1H-Pyrrole-1-acetic acid, 2,5-dihydro-3,4-dihydroxy-2,5-dioxo- [ACD/Index Name]
Acide (3,4-dihydroxy-2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)acétique [French] [ACD/IUPAC Name]
1823344-48-4 [RN]

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

Density: 2.1±0.1 g/cm3
Boiling Point: 422.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±6.0 kJ/mol
Flash Point: 209.1±28.7 °C
Index of Refraction: 1.750
Molar Refractivity: 35.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: -1.58
ACD/LogD (pH 5.5): -4.88
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -6.34
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 115 Å2
Polarizability: 14.2±0.5 10-24cm3
Surface Tension: 159.9±3.0 dyne/cm
Molar Volume: 88.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement