ChemSpider 2D Image | CIMICIFUGIC ACID D | C20H18O10

CIMICIFUGIC ACID D

  • Molecular FormulaC20H18O10
  • Average mass418.351 Da
  • Monoisotopic mass418.089996 Da
  • ChemSpider ID64881191

  • Double-bond stereo - Double-bond stereo

More details:

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

3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-2-hydroxy-2-(4-hydroxybenzyl)bernsteinsäure [German] [ACD/IUPAC Name]
3-{[(2E)-3-(3,4-Dihydroxyphenyl)-2-propenoyl]oxy}-2-hydroxy-2-(4-hydroxybenzyl)succinic acid [ACD/IUPAC Name]
Acide 3-{[(2E)-3-(3,4-dihydroxyphényl)-2-propenoyl]oxy}-2-hydroxy-2-(4-hydroxybenzyl)succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 3-[[(2E)-3-(3,4-dihydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]-2-hydroxy-2-[(4-hydroxyphenyl)methyl]- [ACD/Index Name]
CIMICIFUGIC ACID D
219986-51-3 [RN]

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

D2PCW55V6N [DBID]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 730.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.9±3.0 kJ/mol
Flash Point: 259.8±26.4 °C
Index of Refraction: 1.713
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 6
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 2.76
ACD/LogD (pH 5.5): -2.87
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -2.91
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 182 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 91.9±3.0 dyne/cm
Molar Volume: 259.6±3.0 cm3

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