ChemSpider 2D Image | 2-{[(2E)-3-{4-[(6,7-Dihydroxy-2-oxo-2H-chromen-3-yl)oxy]-3-hydroxyphenyl}-2-propenoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid | C27H20O12

2-{[(2E)-3-{4-[(6,7-Dihydroxy-2-oxo-2H-chromen-3-yl)oxy]-3-hydroxyphenyl}-2-propenoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid

  • Molecular FormulaC27H20O12
  • Average mass536.440 Da
  • Monoisotopic mass536.095459 Da
  • ChemSpider ID35013690

  • Double-bond stereo - Double-bond stereo

More details:

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

2-{[(2E)-3-{4-[(6,7-Dihydroxy-2-oxo-2H-chromen-3-yl)oxy]-3-hydroxyphenyl}-2-propenoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid [ACD/IUPAC Name]
2-{[(2E)-3-{4-[(6,7-Dihydroxy-2-oxo-2H-chromen-3-yl)oxy]-3-hydroxyphenyl}-2-propenoyl]oxy}-3-(3,4-dihydroxyphenyl)propansäure [German] [ACD/IUPAC Name]
Acide 2-{[(2E)-3-{4-[(6,7-dihydroxy-2-oxo-2H-chromén-3-yl)oxy]-3-hydroxyphényl}-2-propenoyl]oxy}-3-(3,4-dihydroxyphényl)propanoïque [French] [ACD/IUPAC Name]
Benzenepropanoic acid, α-[[(2E)-3-[4-[(6,7-dihydroxy-2-oxo-2H-1-benzopyran-3-yl)oxy]-3-hydroxyphenyl]-1-oxo-2-propen-1-yl]oxy]-3,4-dihydroxy- [ACD/Index Name]
2-{[(2E)-3-{4-[(6,7-dihydroxy-2-oxo-2H-chromen-3-yl)oxy]-3-hydroxyphenyl}prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid
2-{[(2E)-3-{4-[(6,7-dihydroxy-2-oxochromen-3-yl)oxy]-3-hydroxyphenyl}prop-2-enoyl]oxy}-3-(3,4-dihydroxyphenyl)propanoic acid
Sagecoumarin

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

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

Density: 1.6±0.1 g/cm3
Boiling Point: 929.8±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 141.7±3.0 kJ/mol
Flash Point: 315.0±27.8 °C
Index of Refraction: 1.750
Molar Refractivity: 133.0±0.3 cm3
#H bond acceptors: 12
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 3
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 0.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.36
ACD/LogD (pH 7.4): -1.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 200 Å2
Polarizability: 52.7±0.5 10-24cm3
Surface Tension: 94.6±3.0 dyne/cm
Molar Volume: 326.4±3.0 cm3

Click to predict properties on the Chemicalize site


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