ChemSpider 2D Image | (7S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate | C23H20O7

(7S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate

  • Molecular FormulaC23H20O7
  • Average mass408.401 Da
  • Monoisotopic mass408.120911 Da
  • ChemSpider ID26381374

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2E)-3-(3,4-Dihydroxyphényl)acrylate de (7S)-8,8-diméthyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromén-7-yle [French] [ACD/IUPAC Name]
(7S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl (2E)-3-(3,4-dihydroxyphenyl)acrylate [ACD/IUPAC Name]
(7S)-8,8-Dimethyl-2-oxo-7,8-dihydro-2H,6H-pyrano[3,2-g]chromen-7-yl-(2E)-3-(3,4-dihydroxyphenyl)acrylat [German] [ACD/IUPAC Name]
2-Propenoic acid, 3-(3,4-dihydroxyphenyl)-, (7S)-7,8-dihydro-8,8-dimethyl-2-oxo-2H,6H-benzo[1,2-b:5,4-b']dipyran-7-yl ester, (2E)- [ACD/Index Name]
(s)-(+)-3-(3,4-dihydroxy-phenyl)-acrylic acid 2,2-dimethyl-8-oxo-3,4-dihydro-2h,8h-pyrano [3,2-g]-chromen-3-yl-ester
1001129-59-4 [RN]
cgk 062

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

Density: 1.4±0.1 g/cm3
Boiling Point: 635.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 97.3±3.0 kJ/mol
Flash Point: 223.3±25.0 °C
Index of Refraction: 1.674
Molar Refractivity: 106.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.89
ACD/LogD (pH 5.5): 3.66
ACD/BCF (pH 5.5): 355.28
ACD/KOC (pH 5.5): 2329.54
ACD/LogD (pH 7.4): 3.65
ACD/BCF (pH 7.4): 348.56
ACD/KOC (pH 7.4): 2285.48
Polar Surface Area: 102 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 71.0±5.0 dyne/cm
Molar Volume: 284.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement