ChemSpider 2D Image | (2E)-3-(4-{[(2,2'-Dioxo-2H,2'H-3,4'-bichromen-7'-yl)oxy]carbonyl}phenyl)acrylic acid | C28H16O8

(2E)-3-(4-{[(2,2'-Dioxo-2H,2'H-3,4'-bichromen-7'-yl)oxy]carbonyl}phenyl)acrylic acid

  • Molecular FormulaC28H16O8
  • Average mass480.422 Da
  • Monoisotopic mass480.084503 Da
  • ChemSpider ID124405557

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-3-(4-{[(2,2'-Dioxo-2H,2'H-3,4'-bichromen-7'-yl)oxy]carbonyl}phenyl)acrylic acid [ACD/IUPAC Name]
(2E)-3-(4-{[(2,2'-Dioxo-2H,2'H-3,4'-bichromen-7'-yl)oxy]carbonyl}phenyl)acrylsäure [German] [ACD/IUPAC Name]
Acide (2E)-3-(4-{[(2,2'-dioxo-2H,2'H-3,4'-bichromén-7'-yl)oxy]carbonyl}phényl)acrylique [French] [ACD/IUPAC Name]
Benzoic acid, 4-[(E)-2-carboxyethenyl]-, 1-(2,2'-dioxo[3,4'-bi-2H-1-benzopyran]-7'-yl) ester [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 763.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 116.7±3.0 kJ/mol
Flash Point: 263.1±26.4 °C
Index of Refraction: 1.714
Molar Refractivity: 126.7±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.35
ACD/LogD (pH 5.5): 3.46
ACD/BCF (pH 5.5): 120.82
ACD/KOC (pH 5.5): 452.19
ACD/LogD (pH 7.4): 1.69
ACD/BCF (pH 7.4): 2.04
ACD/KOC (pH 7.4): 7.65
Polar Surface Area: 116 Å2
Polarizability: 50.2±0.5 10-24cm3
Surface Tension: 71.8±3.0 dyne/cm
Molar Volume: 322.8±3.0 cm3

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