ChemSpider 2D Image | (2E)-3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylacrylic acid | C16H11NO6

(2E)-3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylacrylic acid

  • Molecular FormulaC16H11NO6
  • Average mass313.262 Da
  • Monoisotopic mass313.058624 Da
  • ChemSpider ID21178500

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylacrylic acid [ACD/IUPAC Name]
(2E)-3-(6-Nitro-1,3-benzodioxol-5-yl)-2-phenylacrylsäure [German] [ACD/IUPAC Name]
Acide (2E)-3-(6-nitro-1,3-benzodioxol-5-yl)-2-phénylacrylique [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-, (αE)- [ACD/Index Name]
3-(6-Nitrobenzo[d][1,3]dioxol-5-yl)-2-phenylacrylic acid
92858-72-5 [RN]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 471.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.3±3.0 kJ/mol
Flash Point: 238.6±28.7 °C
Index of Refraction: 1.700
Molar Refractivity: 81.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.66
ACD/LogD (pH 5.5): 1.70
ACD/BCF (pH 5.5): 3.72
ACD/KOC (pH 5.5): 23.09
ACD/LogD (pH 7.4): 0.22
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 102 Å2
Polarizability: 32.2±0.5 10-24cm3
Surface Tension: 73.2±3.0 dyne/cm
Molar Volume: 210.1±3.0 cm3

Click to predict properties on the Chemicalize site


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