ChemSpider 2D Image | 8-Hydroxy-3-methoxy-1-[(E)-2-(1-naphthyl)vinyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid | C28H18O6

8-Hydroxy-3-methoxy-1-[(E)-2-(1-naphthyl)vinyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid

  • Molecular FormulaC28H18O6
  • Average mass450.439 Da
  • Monoisotopic mass450.110352 Da
  • ChemSpider ID23297145

  • Double-bond stereo - Double-bond stereo

More details:

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

2-Anthracenecarboxylic acid, 9,10-dihydro-8-hydroxy-3-methoxy-1-[(E)-2-(1-naphthalenyl)ethenyl]-9,10-dioxo- [ACD/Index Name]
8-Hydroxy-3-methoxy-1-[(E)-2-(1-naphthyl)vinyl]-9,10-dioxo-9,10-dihydro-2-anthracencarbonsäure [German] [ACD/IUPAC Name]
8-Hydroxy-3-methoxy-1-[(E)-2-(1-naphthyl)vinyl]-9,10-dioxo-9,10-dihydro-2-anthracenecarboxylic acid [ACD/IUPAC Name]
8-hydroxy-3-methoxy-1-[(E)-2-(naphthalen-1-yl)ethenyl]-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid
Acide 8-hydroxy-3-méthoxy-1-[(E)-2-(1-naphtyl)vinyl]-9,10-dioxo-9,10-dihydro-2-anthracènecarboxylique [French] [ACD/IUPAC Name]
8-hydroxy-3-methoxy-1-(2-(naphthalen-1-yl)vinyl)-9,10-dioxo-9,10-dihydroanthracene-2-carboxylic acid

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

Density: 1.4±0.1 g/cm3
Boiling Point: 771.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 117.8±3.0 kJ/mol
Flash Point: 267.3±26.4 °C
Index of Refraction: 1.770
Molar Refractivity: 129.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.26
ACD/LogD (pH 5.5): 3.49
ACD/BCF (pH 5.5): 61.04
ACD/KOC (pH 5.5): 117.09
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 4.64
ACD/KOC (pH 7.4): 8.90
Polar Surface Area: 101 Å2
Polarizability: 51.3±0.5 10-24cm3
Surface Tension: 74.2±3.0 dyne/cm
Molar Volume: 311.4±3.0 cm3

Click to predict properties on the Chemicalize site


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