ChemSpider 2D Image | {[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}malonic acid | C12H10O7

{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}malonic acid

  • Molecular FormulaC12H10O7
  • Average mass266.204 Da
  • Monoisotopic mass266.042664 Da
  • ChemSpider ID30776963

  • Double-bond stereo - Double-bond stereo

More details:

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

{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}malonic acid [ACD/IUPAC Name]
{[(2E)-3-(4-Hydroxyphenyl)-2-propenoyl]oxy}malonsäure [German] [ACD/IUPAC Name]
95519-23-6 [RN]
Acide {[(2E)-3-(4-hydroxyphényl)-2-propenoyl]oxy}malonique [French] [ACD/IUPAC Name]
PROPANEDIOIC ACID, [[3-(4-HYDROXYPHENYL)-1-OXO-2-PROPENYL]OXY]-, (E)-
Propanedioic acid, 2-[[(2E)-3-(4-hydroxyphenyl)-1-oxo-2-propen-1-yl]oxy]- [ACD/Index Name]
2-{[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxy}propanedioic acid
2-O-p-Coumaroyltartronic acid

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: 546.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.9±3.0 kJ/mol
Flash Point: 214.7±23.6 °C
Index of Refraction: 1.653
Molar Refractivity: 62.8±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.03
ACD/LogD (pH 5.5): -3.44
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -3.49
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 121 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 78.4±3.0 dyne/cm
Molar Volume: 171.5±3.0 cm3

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