ChemSpider 2D Image | Cimicifugic acid A | C21H20O11

Cimicifugic acid A

  • Molecular FormulaC21H20O11
  • Average mass448.377 Da
  • Monoisotopic mass448.100555 Da
  • ChemSpider ID64882393

  • Double-bond stereo - Double-bond stereo

More details:

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

2-(3,4-Dihydroxybenzyl)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}bernsteinsäure [German] [ACD/IUPAC Name]
2-(3,4-Dihydroxybenzyl)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-methoxyphenyl)-2-propenoyl]oxy}succinic acid [ACD/IUPAC Name]
Acide 2-(3,4-dihydroxybenzyl)-2-hydroxy-3-{[(2E)-3-(4-hydroxy-3-méthoxyphényl)-2-propenoyl]oxy}succinique [French] [ACD/IUPAC Name]
Butanedioic acid, 2-[(3,4-dihydroxyphenyl)methyl]-2-hydroxy-3-[[(2E)-3-(4-hydroxy-3-methoxyphenyl)-1-oxo-2-propen-1-yl]oxy]- [ACD/Index Name]
Cimicifugic acid A
205114-65-4 [RN]

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

0S0MJU107Z [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: 740.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 113.4±3.0 kJ/mol
Flash Point: 259.3±26.4 °C
Index of Refraction: 1.691
Molar Refractivity: 108.5±0.3 cm3
#H bond acceptors: 11
#H bond donors: 6
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 2
ACD/LogP: 2.37
ACD/LogD (pH 5.5): -2.96
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.00
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 191 Å2
Polarizability: 43.0±0.5 10-24cm3
Surface Tension: 84.8±3.0 dyne/cm
Molar Volume: 283.6±3.0 cm3

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