ChemSpider 2D Image | (2Z)-4-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-oxo-2-butenoic acid | C14H8O6

(2Z)-4-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-oxo-2-butenoic acid

  • Molecular FormulaC14H8O6
  • Average mass272.210 Da
  • Monoisotopic mass272.032074 Da
  • ChemSpider ID57573713

  • Double-bond stereo - Double-bond stereo

More details:

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

(2Z)-4-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl)-4-oxo-2-butenoic acid [ACD/IUPAC Name]
(2Z)-4-(3-Hydroxy-1,4-dioxo-1,4-dihydro-2-naphthalinyl)-4-oxo-2-butensäure [German] [ACD/IUPAC Name]
2-Butenoic acid, 4-(1,4-dihydro-3-hydroxy-1,4-dioxo-2-naphthalenyl)-4-oxo-, (2Z)- [ACD/Index Name]
Acide (2Z)-4-(3-hydroxy-1,4-dioxo-1,4-dihydro-2-naphtalényl)-4-oxo-2-buténoïque [French] [ACD/IUPAC Name]
(2Z)-4-(3-hydroxy-1,4-dioxo-1,4-dihydronaphthalen-2-yl)-4-oxobut-2-enoic acid

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

Density: 1.6±0.1 g/cm3
Boiling Point: 484.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.9±3.0 kJ/mol
Flash Point: 260.8±25.2 °C
Index of Refraction: 1.695
Molar Refractivity: 64.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.62
ACD/LogD (pH 5.5): -4.23
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -4.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 109 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 88.5±3.0 dyne/cm
Molar Volume: 168.0±3.0 cm3

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