ChemSpider 2D Image | (2E)-2-{6-[(Z)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylic acid | C18H14O8

(2E)-2-{6-[(Z)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylic acid

  • Molecular FormulaC18H14O8
  • Average mass358.299 Da
  • Monoisotopic mass358.068878 Da
  • ChemSpider ID95723679

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E)-2-{6-[(Z)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylic acid [ACD/IUPAC Name]
(2E)-2-{6-[(Z)-2-Carboxyvinyl]-2,3-dihydroxyphenyl}-3-(3,4-dihydroxyphenyl)acrylsäure [German] [ACD/IUPAC Name]
Acide (2E)-2-{6-[(Z)-2-carboxyvinyl]-2,3-dihydroxyphényl}-3-(3,4-dihydroxyphényl)acrylique [French] [ACD/IUPAC Name]
Benzeneacetic acid, 6-[(Z)-2-carboxyethenyl]-α-[(3,4-dihydroxyphenyl)methylene]-2,3-dihydroxy-, (αE)- [ACD/Index Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 667.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 103.0±3.0 kJ/mol
Flash Point: 371.2±28.0 °C
Index of Refraction: 1.811
Molar Refractivity: 93.5±0.3 cm3
#H bond acceptors: 8
#H bond donors: 6
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 3.70
ACD/LogD (pH 5.5): -1.71
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 156 Å2
Polarizability: 37.1±0.5 10-24cm3
Surface Tension: 102.5±3.0 dyne/cm
Molar Volume: 216.5±3.0 cm3

Click to predict properties on the Chemicalize site


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